 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer11_STD_B3LYPDBJ_def2SVPD.in
 Output=30_ibuprofen_conformer11_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
            -H     0
            S    3   1.00
                 13.0107010              0.19682158D-01
                  1.9622572              0.13796524
                  0.44453796             0.47831935
            S    1   1.00
                  0.12194962             1.0000000
            P    1   1.00
                  0.8000000              1.0000000
            P    1   1.00
                  0.11704099050          1.0000000
            ****
            -He     0
            S    3   1.00
                 38.354936737            0.23814288905D-01
                  5.7689081479           0.15490906777
                  1.2399407035           0.46998096633
            S    1   1.00
                  0.29757815953          1.0000000
            P    1   1.00
                  1.0000000              1.0000000
            P    1   1.00
                  0.22039119441          1.0000000
            ****
            -Li     0
            S    5   1.00
                266.27785516             0.64920150325D-02
                 40.069783447            0.47747863215D-01
                  9.0559944389           0.20268796111
                  2.4503009051           0.48606574817
                  0.72209571855          0.43626977955
            S    1   1.00
                  0.52810884721D-01      1.0000000
            S    1   1.00
                  0.20960948798D-01      1.0000000
            P    2   1.00
                  1.4500000              0.2586000
                  0.3000000              1.0000000
            P    1   1.00
                  0.0820000              1.0000000
            P    1   1.00
                  0.26347662457D-01      1.0000000
            ****
            -Be     0
            S    5   1.00
                515.18616125             0.55615307983D-02
                 77.511037595            0.41190068062D-01
                 17.552481693            0.17913378108
                  4.8028940596           0.44736716455
                  1.4516214316           0.42009581920
            S    1   1.00
                  0.13281633620          1.0000000
            S    1   1.00
                  0.45837372213D-01      1.0000000
            P    3   1.00
                  3.6316917145          -0.29033998305D-01
                  0.71695694366         -0.16877854032
                  0.19541932860         -0.51403419628
            P    1   1.00
                  0.60515465890D-01      1.0000000
            P    1   1.00
                  0.30181880660D-01      1.0000000
            ****
            -B     0
            S    5   1.00
                839.31830086            -0.55929201074D-02
                126.26464843            -0.41565520771D-01
                 28.620600763           -0.18299816983
                  7.8793722710          -0.46540391866
                  2.4088857172          -0.44173884791
            S    1   1.00
                  0.25105109036          1.0000000
            S    1   1.00
                  0.83648866069D-01      1.0000000
            S    1   1.00
                  0.42351565332D-01      1.0000000
            P    3   1.00
                  6.0332223619          -0.35603672456D-01
                  1.2499157866          -0.19895775769
                  0.33871676350         -0.50850202618
            P    1   1.00
                  0.96415632351D-01      1.0000000
            D    1   1.00
                  0.5000000              1.0000000
            D    1   1.00
                  0.74392443101D-01      1.0000000
            ****
            -C     0
            S    5   1.00
               1238.4016938              0.54568832082D-02
                186.29004992             0.40638409211D-01
                 42.251176346            0.18025593888
                 11.676557932            0.46315121755
                  3.5930506482           0.44087173314
            S    1   1.00
                  0.40245147363          1.0000000
            S    1   1.00
                  0.13090182668          1.0000000
            S    1   1.00
                  0.67053540256D-01      1.0000000
            P    3   1.00
                  9.4680970621           0.38387871728D-01
                  2.0103545142           0.21117025112
                  0.54771004707          0.51328172114
            P    1   1.00
                  0.15268613795          1.0000000
            D    1   1.00
                  0.8000000              1.0000000
            D    1   1.00
                  0.11713185140          1.0000000
            ****
            -N     0
            S    5   1.00
               1712.8415853             -0.53934125305D-02
                257.64812677            -0.40221581118D-01
                 58.458245853           -0.17931144990
                 16.198367905           -0.46376317823
                  5.0052600809          -0.44171422662
            S    1   1.00
                  0.58731856571          1.0000000
            S    1   1.00
                  0.18764592253          1.0000000
            S    1   1.00
                  0.96171241529D-01      1.0000000
            P    3   1.00
                 13.571470233           -0.40072398852D-01
                  2.9257372874          -0.21807045028
                  0.79927750754         -0.51294466049
            P    1   1.00
                  0.21954348034          1.0000000
            D    1   1.00
                  1.0000000              1.0000000
            D    1   1.00
                  0.16697708112          1.0000000
            ****
            -O     0
            S    5   1.00
               2266.1767785             -0.53431809926D-02
                340.87010191            -0.39890039230D-01
                 77.363135167           -0.17853911985
                 21.479644940           -0.46427684959
                  6.6589433124          -0.44309745172
            S    1   1.00
                  0.80975975668          1.0000000
            S    1   1.00
                  0.25530772234          1.0000000
            S    1   1.00
                  0.76572453250D-01      1.0000000
            P    3   1.00
                 17.721504317            0.43394573193D-01
                  3.8635505440           0.23094120765
                  1.0480920883           0.51375311064
            P    1   1.00
                  0.27641544411          1.0000000
            P    1   1.00
                  0.69002276350D-01      1.0000000
            D    1   1.00
                  1.2000000              1.0000000
            D    1   1.00
                  0.17992024323          1.0000000
            ****
            -F     0
            S    5   1.00
               2894.8325990             -0.53408255515D-02
                435.41939120            -0.39904258866D-01
                 98.843328866           -0.17912768038
                 27.485198001           -0.46758090825
                  8.5405498171          -0.44653131020
            S    1   1.00
                  1.0654578038           1.0000000
            S    1   1.00
                  0.33247346748          1.0000000
            S    1   1.00
                  0.98097752264D-01      1.0000000
            P    3   1.00
                 22.696633924           -0.45212874436D-01
                  4.9872339257          -0.23754317067
                  1.3491613954          -0.51287353587
            P    1   1.00
                  0.34829881977          1.0000000
            P    1   1.00
                  0.83372148304D-01      1.0000000
            D    1   1.00
                  1.4000000              1.0000000
            D    1   1.00
                  0.22301361948          1.0000000
            ****
            -Ne     0
            S    5   1.00
               3598.9736625             -0.53259297003D-02
                541.32073112            -0.39817417969D-01
                122.90450062            -0.17914358188
                 34.216617022           -0.46893582977
                 10.650584124           -0.44782537577
            S    1   1.00
                  1.3545953960           1.0000000
            S    1   1.00
                  0.41919362639          1.0000000
            S    1   1.00
                  0.12055043545          1.0000000
            P    3   1.00
                 28.424053785           -0.46031944795D-01
                  6.2822510953          -0.23993183041
                  1.6978715079          -0.50871724964
            P    1   1.00
                  0.43300700172          1.0000000
            P    1   1.00
                  0.10141942051          1.0000000
            D    1   1.00
                  1.8880000              1.0000000
            D    1   1.00
                  0.28026803041          1.0000000
            ****
            -Na     0
            S    5   1.00
               4098.2003908             -0.58535911879D-02
                616.49374031            -0.43647161872D-01
                139.96644001            -0.19431465884
                 39.073441051           -0.48685065731
                 11.929847205           -0.41881705137
            S    3   1.00
                 20.659966030            0.85949689854D-01
                  1.9838860978          -0.56359144041
                  0.64836323942         -0.51954009048
            S    1   1.00
                  0.52443967404D-01      1.0000000
            S    1   1.00
                  0.28048160742D-01      1.0000000
            P    5   1.00
                 75.401862017            0.154353625324D-01
                 17.274818978            0.997382931840D-01
                  5.1842347425           0.312095939659
                  1.6601211973           0.492956748074
                  0.51232528958          0.324203983180
            P    1   1.00
                  0.0520000              1.0000000
            P    1   1.00
                  0.19853008514D-01      1.0000000
            D    1   1.00
                  0.1310000              1.0000000
            ****
            -Mg     0
            S    5   1.00
               4953.8339196             -0.57778967498D-02
                745.18044154            -0.43124761082D-01
                169.21604972            -0.19268216987
                 47.300672019           -0.48641439116
                 14.461336973           -0.42550894077
            S    3   1.00
                 24.768174789            0.87956969984D-01
                  2.4940945349          -0.55165058128
                  0.87807584533         -0.53443294833
            S    1   1.00
                  0.87212782497D-01      1.0000000
            S    1   1.00
                  0.33599293780D-01      1.0000000
            P    5   1.00
                 98.053010494           -0.14480564601D-01
                 22.586932277           -0.95495750787D-01
                  6.8391509842          -0.30787672651
                  2.2332843818          -0.49936292886
                  0.71606599387         -0.31503476213
            P    1   1.00
                  0.18914796195          1.0000000
            P    1   1.00
                  0.53768755187D-01      1.0000000
            P    1   1.00
                  0.23963578287D-01      1.0000000
            D    1   1.00
                  0.1010000              1.0000000
            ****
            -Al     0
            S    5   1.00
               5887.5727030              0.13483347987D-02
                885.61225996             0.10071576809D-01
                201.13604899             0.45132454056D-01
                 56.284974674            0.11461268043
                 17.229551243            0.10159608943
            S    3   1.00
                 29.340249922            0.69347454208D-01
                  3.0439630420          -0.42528117679
                  1.1285539518          -0.41449832210
            S    1   1.00
                  0.14234175160          1.0000000
            S    1   1.00
                  0.54400192313D-01      1.0000000
            S    1   1.00
                  0.32535359511D-01      1.0000000
            P    5   1.00
                145.11918809             0.63963373134D-02
                 33.717894833            0.44189359965D-01
                 10.369863083            0.15581575993
                  3.5135616036           0.28635286951
                  1.1980050273           0.22921423248
            P    1   1.00
                  0.26583005913          1.0000000
            P    1   1.00
                  0.71003361994D-01      1.0000000
            D    1   1.00
                  0.3000000              1.0000000
            D    1   1.00
                  0.53071685831D-01      1.0000000
            ****
            -Si     0
            S    5   1.00
               6903.7118686              0.13373962995D-02
               1038.4346419              0.99966546241D-02
                235.87581480             0.44910165101D-01
                 66.069385169            0.11463638540
                 20.247945761            0.10280063858
            S    3   1.00
                 34.353481730            0.70837285010D-01
                  3.6370788192          -0.43028836252
                  1.4002048599          -0.41382774969
            S    1   1.00
                  0.20484414805          1.0000000
            S    1   1.00
                  0.77994095468D-01      1.0000000
            S    1   1.00
                  0.46834778282D-01      1.0000000
            P    5   1.00
                179.83907373             0.61916656462D-02
                 41.907258846            0.43399431982D-01
                 12.955294367            0.15632019351
                  4.4383267393           0.29419996982
                  1.5462247904           0.23536823814
            P    1   1.00
                  0.35607612302          1.0000000
            P    1   1.00
                  0.10008513762          1.0000000
            D    1   1.00
                  0.3500000              1.0000000
            D    1   1.00
                  0.74117707708D-01      1.0000000
            ****
            -P     0
            S    5   1.00
               8002.4795106              0.57503489302D-02
               1203.6813590              0.43007628959D-01
                273.44227031             0.19363986252
                 76.655541517            0.49651693399
                 23.516927435            0.44983262479
            S    3   1.00
                 39.791683439            0.95188129789D-01
                  4.2770343323          -0.57649840368
                  1.6940256888          -0.54239583865
            S    1   1.00
                  0.27567674644          1.0000000
            S    1   1.00
                  0.10495590099          1.0000000
            S    1   1.00
                  0.64309734755D-01      1.0000000
            P    5   1.00
                219.50755823             0.92100565257D-02
                 51.274155030            0.65409765745D-01
                 15.921595892            0.24033730279
                  5.5069913481           0.46318321788
                  1.9537719426           0.37392563382
            P    1   1.00
                  0.47803397932          1.0000000
            P    1   1.00
                  0.13657952621          1.0000000
            D    1   1.00
                  0.4500000              1.0000000
            D    1   1.00
                  0.99587311089D-01      1.0000000
            ****
            -S     0
            S    5   1.00
               9184.9303010             -0.22294387756D-02
               1381.5105503             -0.16683029937D-01
                313.87147580            -0.75262436116D-01
                 88.053870623           -0.19376827038
                 27.039914905           -0.17718020803
            S    3   1.00
                 45.648731303           -0.10736062573
                  4.9664522326           0.65066293018
                  2.0116242047           0.59712155354
            S    1   1.00
                  0.35661077013          1.0000000
            S    1   1.00
                  0.13507221477          1.0000000
            S    1   1.00
                  0.44999823506D-01      1.0000000
            P    5   1.00
                261.98233439            -0.92729929822D-02
                 61.306894736           -0.66547669241D-01
                 19.103729887           -0.24828595903
                  6.6567720378          -0.48703847402
                  2.3959635161          -0.39337850312
            P    1   1.00
                  0.61776161679          1.0000000
            P    1   1.00
                  0.16993376871          1.0000000
            P    1   1.00
                  0.41706793676D-01      1.0000000
            D    1   1.00
                  0.5500000              1.0000000
            D    1   1.00
                  0.10172853717          1.0000000
            ****
            -Cl     0
            S    5   1.00
              10449.8275660              0.19708362484D-02
               1571.7365221              0.14754727977D-01
                357.12065523             0.66679112875D-01
                100.25185935             0.17228924084
                 30.812727554            0.15883786100
            S    3   1.00
                 51.923789434           -0.10009298909
                  5.7045760975           0.60841752753
                  2.3508376809           0.54352153355
            S    1   1.00
                  0.44605124672          1.0000000
            S    1   1.00
                  0.16848856190          1.0000000
            S    1   1.00
                  0.55344229413D-01      1.0000000
            P    5   1.00
                307.66790569            -0.87801484118D-02
                 72.102015515           -0.63563355471D-01
                 22.532680262           -0.24016428276
                  7.8991765444          -0.47798866557
                  2.8767268321          -0.38515850005
            P    1   1.00
                  0.77459363955          1.0000000
            P    1   1.00
                  0.21037699698          1.0000000
            P    1   1.00
                  0.50046271086D-01      1.0000000
            D    1   1.00
                  0.6500000              1.0000000
            D    1   1.00
                  0.12284803390          1.0000000
            ****
            -Ar     0
            S    5   1.00
              11797.1197650              0.20214479973D-02
               1774.3522753              0.15139852688D-01
                403.18875733             0.68525400873D-01
                113.24933999             0.17762929207
                 34.835298193            0.16496495001
            S    3   1.00
                 58.614775042           -0.10343394000
                  6.4922045078           0.63133365899
                  2.7117014403           0.54887572301
            S    1   1.00
                  0.54412974538          1.0000000
            S    1   1.00
                  0.20517411136          1.0000000
            S    1   1.00
                  0.66442487045D-01      1.0000000
            P    5   1.00
                356.28707256            -0.87321783271D-02
                 83.593132866           -0.63680317444D-01
                 26.186704029           -0.24311906886
                  9.2257275925          -0.48956069653
                  3.3922754954          -0.39229190040
            P    1   1.00
                  0.94740534010          1.0000000
            P    1   1.00
                  0.25659135062          1.0000000
            P    1   1.00
                  0.59491455142D-01      1.0000000
            D    1   1.00
                  0.6960000              1.0000000
            D    1   1.00
                  0.14309493859          1.0000000
            ****
            -K     0
            S    6   1.00
              31478.7467640              0.39838653994D-02
               4726.8876066              0.30501759762D-01
               1075.4345353              0.15073752622
                303.39811023             0.51912939801
                 98.327112831            1.0366957005
                 33.636222177            0.76398963199
            S    3   1.00
                 65.639209962           -0.28242617106
                  7.3162592218           1.6914935860
                  2.8902580135           1.2965331953
            S    3   1.00
                  4.5459748965          -0.76343555273D-02
                  0.70404124062          0.25635718960D-01
                  0.28266888959          0.16606859208D-01
            S    1   1.00
                  0.29058164020D-01      1.0000000
            S    1   1.00
                  0.12111638157D-01      1.0000000
            P    5   1.00
                361.22492154             0.20906479823D-01
                 84.670222166            0.15043641740
                 26.469088236            0.55440061077
                  9.2658077615           1.0409009991
                  3.3423388293           0.67825341194
            P    3   1.00
                  1.5100876104           0.75248191146
                  0.56568375163          1.3708585031
                  0.20817008495          0.66047633079
            P    1   1.00
                  0.0417370              1.0000000
            P    1   1.00
                  0.16603217986D-01      1.0000000
            D    1   1.00
                  0.3530000              1.0000000
            D    1   1.00
                  0.0980000              1.0000000
            ****
            -Ca     0
            S    6   1.00
              35138.7139290              0.39482520740D-02
               5276.4111348              0.30234243552D-01
               1200.4692589              0.14952019681
                338.71810542             0.51597345713
                109.85385922             1.0339510296
                 37.608880299            0.76937933526
            S    3   1.00
                 73.107977555           -0.28268525011
                  8.2407705688           1.6796092142
                  3.2959812993           1.2803766016
            S    3   1.00
                  5.2341800914          -0.76868604561D-02
                  0.84187220515          0.25382375978D-01
                  0.36510294029          0.16512171511D-01
            S    1   1.00
                  0.51222402884D-01      1.0000000
            S    1   1.00
                  0.19825111408D-01      1.0000000
            P    5   1.00
                413.11313893             0.20327135354D-01
                 96.935786224            0.14730276362
                 30.372154659            0.54887167322
                 10.684776830            1.0440659818
                  3.8821258350           0.68653490684
            P    3   1.00
                  1.7993016295           0.75410246871
                  0.69189056530          1.3409296599
                  0.26364024096          0.56391989435
            P    1   1.00
                  0.0749790              1.0000000
            P    1   1.00
                  0.23809355789D-01      1.0000000
            D    3   1.00
                  5.4979093879           0.73770011433D-01
                  1.3177128032           0.26052853169
                  0.32188682649          0.45233836380
            D    1   1.00
                  0.70528614919D-01      1.0000000
            ****
            -Sc     0
            S    6   1.00
              38956.0818040              0.39293205858D-02
               5849.5733637              0.30093221229D-01
               1330.8813154              0.14890370950
                375.55534165             0.51464282906
                121.87261370             1.0337708070
                 41.760243729            0.77436851627
            S    3   1.00
                 81.060633953           -0.28318552316
                  9.2059823972           1.6770806984
                  3.7063215732           1.2594733678
            S    3   1.00
                  5.9888909988          -0.77821367493D-02
                  0.97363432378          0.25499692745D-01
                  0.42041019223          0.16191560820D-01
            S    1   1.00
                  0.59440551913D-01      1.0000000
            S    1   1.00
                  0.22897806303D-01      1.0000000
            P    5   1.00
                466.31481262             0.19984300385D-01
                109.51217097             0.14561043072
                 34.375921827            0.54687466223
                 12.142096955            1.0479006012
                  4.4336767669           0.68894890327
            P    3   1.00
                  2.0971291866           0.75619214724
                  0.80977606956          1.3178212235
                  0.30834046588          0.54312268173
            P    1   1.00
                  0.0897480              1.0000000
            P    1   1.00
                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
                 19.888520061           -0.22857227762
                  3.3668473803           0.73591359951
                  1.5249277839           0.44330199577
            S    1   1.00
                  0.29630037912          1.0000000
            S    1   1.00
                  0.11009288974          1.0000000
            S    1   1.00
                  0.42167294728D-01      1.0000000
            P    5   1.00
               1455.9068120              0.88203597043D-02
                343.75101831             0.66875851967D-01
                109.29554964             0.26640578080
                 39.707711022            0.53834928422
                 14.950185232            0.36303281993
            P    3   1.00
                  8.0208962094           0.34153807025
                  3.2934649756           0.57257906583
                  1.4058602438           0.25549813222
            P    1   1.00
                  0.45076123226          1.0000000
            P    1   1.00
                  0.13353413325          1.0000000
            P    1   1.00
                  0.34396697938D-01      1.0000000
            D    4   1.00
                 94.494024044            0.23490101098D-01
                 27.188185260            0.13747735767D+00
                  9.5091567352           0.36649929124D+00
                  3.4170516853           0.48750989884D+00
            D    1   1.00
                  1.1479590083            .27657943383D+00
            D    1   1.00
                  0.3380000              1.0000000
            D    1   1.00
                  0.82767380906D-01      1.0000000
            ****
            -Br     0
            S    6   1.00
             113286.3877600              0.14283037779D-02
              17009.6263030              0.10950417496D-01
               3870.1842567              0.54421006604D-01
               1093.0357227              0.19047907695
                356.39721797             0.39024642737
                123.12539643             0.30814432514
            S    3   1.00
                236.74084007            -0.11228065671
                 28.468661070            0.64775962312
                 11.883443722            0.44235575986
            S    3   1.00
                 21.269633312           -0.22642576323
                  3.6129226841           0.73823712008
                  1.6626648969           0.42683868694
            S    1   1.00
                  0.34823793232          1.0000000
            S    1   1.00
                  0.13019031394          1.0000000
            S    1   1.00
                  0.50966709763D-01      1.0000000
            P    5   1.00
               1560.2801881              0.87166669072D-02
                368.47859205             0.66243637420D-01
                117.22978849             0.26495610385
                 42.648909248            0.53839160587
                 16.087225096            0.36579387888
            P    3   1.00
                  8.6352810058           0.34248787366
                  3.5613665502           0.57500678213
                  1.5292626609           0.24330394172
            P    1   1.00
                  0.53064294848          1.0000000
            P    1   1.00
                  0.15702758965          1.0000000
            P    1   1.00
                  0.39636841846D-01      1.0000000
            D    4   1.00
                104.85518642             0.22650147581D-01
                 30.281143688            0.13455483230
                 10.651394267            0.36474454537
                  3.8699456233           0.49044587056
            D    1   1.00
                  1.3240876762            .27137289040
            D    1   1.00
                  0.3890000              1.0000000
            D    1   1.00
                  0.96543342393D-01      1.0000000
            ****
            -Kr     0
            S    6   1.00
             120165.6487500              0.14294234496D-02
              18042.5001690              0.10959597020D-01
               4105.1800388              0.54479647470D-01
               1159.4447248              0.19081239122
                378.13810346             0.39140445949
                130.67610045             0.31007346689
            S    3   1.00
                250.96373353            -0.11258604011
                 30.265930380            0.64816322524
                 12.668110757            0.44240238994
            S    3   1.00
                 22.697940101           -0.22391964908
                  3.8673017398           0.74060953026
                  1.8013706671           0.40803658445
            S    1   1.00
                  0.40308639136          1.0000000
            S    1   1.00
                  0.15170527749          1.0000000
            S    1   1.00
                  0.60450731670D-01      1.0000000
            P    5   1.00
               1668.5736623              0.86215009803D-02
                394.13862798             0.65665506884D-01
                125.46644854             0.26366576697
                 45.704992729            0.53867658574
                 17.270133229            0.36865167502
            P    3   1.00
                  9.2699487770           0.34346189015
                  3.8364617719           0.57784776196
                  1.6467163312           0.23075615197
            P    1   1.00
                  0.61479686489          1.0000000
            P    1   1.00
                  0.18319467414          1.0000000
            P    1   1.00
                  0.45792563991D-01      1.0000000
            D    4   1.00
                115.55868603             0.21945485333D-01
                 33.477985864            0.13211212879
                 11.834450207            0.36333306964
                  4.3408254894           0.49300484446
            D    1   1.00
                  1.5079273157            .26676858913
            D    1   1.00
                  0.4430000              1.0000000
            D    1   1.00
                  0.11235044486          1.0000000
            ****
            -Rb     0
            S    3   1.00
                  4.6687885071           0.29008526793
                  2.9442428420          -0.67740090428
                  0.58171262989          0.45712389487
            S    1   1.00
                  0.45147933555          1.0000000
            S    1   1.00
                  0.21604923532          1.0000000
            S    1   1.00
                  0.32088816526D-01      1.0000000
            S    1   1.00
                  0.13833878175D-01      1.0000000
            P    4   1.00
                  5.5234179480           0.51234729472D-01
                  3.4120149646          -0.17337025646
                  0.76899021792          0.43339683188
                  0.33088071786          0.55354332721
            P    1   1.00
                  0.13423268441          1.0000000
            P    1   1.00
                  0.20642679613D-01      1.0000000
            P    1   1.00
                  0.43243763156D-02      1.0000000
            D    1   1.00
                  0.2260000              1.0000000
            D    1   1.00
                  0.27432280711D-01      1.0000000
            ****
            -Sr     0
            S    3   1.00
                  5.9276428767           0.19698765364
                  3.0691274814          -0.64852205985
                  0.70675488028          0.62064729022
            S    1   1.00
                  0.33824024280          1.0000000
            S    1   1.00
                  0.61768869200D-01      1.0000000
            S    1   1.00
                  0.25767593093D-01      1.0000000
            P    4   1.00
                  2.4324720000          -0.37145059848
                  1.6642340000           0.37856824234
                  0.59455471858          0.59874487803
                  0.26152621998          0.35314019512
            P    1   1.00
                  0.10258814042          1.0000000
            P    1   1.00
                  0.33223404030D-01      1.0000000
            P    1   1.00
                  0.16570352270D-01      1.0000000
            D    4   1.00
                  3.6180810000          -0.75010000000D-02
                  0.99665600000          0.10809800000
                  0.39073500000          0.27854000000
                  0.12277000000          0.47731800000
            D    1   1.00
                  0.36655000000D-01       .44818300000
            ****
            -Y     0
            S    3   1.00
                  5.1329580000          -1.3864845457
                  4.2401920000           1.9459581166
                  1.2982800000           0.44182603154
            S    1   1.00
                  0.82904954347          1.0000000
            S    1   1.00
                  0.34752758911          1.0000000
            S    1   1.00
                  0.68418878574D-01      1.0000000
            S    1   1.00
                  0.27323992904D-01      1.0000000
            P    4   1.00
                  2.7279200000          -0.37249884911871
                  1.9790500000           0.32572065995957
                  0.79980886805          0.50094655502482
                  0.38409397354          0.44385929492812
            P    1   1.00
                  0.16173582264          1.0000000
            P    1   1.00
                  0.69700000000D-01      1.0000000
            P    1   1.00
                  0.0300000              1.0000000
            D    4   1.00
                  3.9030833060          -0.0098209792625124
                  1.1363234302           0.19183629664092
                  0.45617043877          0.40597788538820
                  0.17470950748          0.43861485518224
            D    1   1.00
                  0.61978796638D-01      1.0000000
            F    1   1.00
                  0.2651500              1.0000000
            ****
            -Zr     0
            S    3   1.00
                  5.8737890000           0.54255558714
                  4.2872700000          -0.95241333244
                  1.4641370000          -0.13703926411
            S    1   1.00
                  0.83727682345           .88521584390
            S    1   1.00
                  0.36849806511          1.0000000
            S    1   1.00
                  0.77806859124D-01      1.0000000
            S    1   1.00
                  0.30273088330D-01      1.0000000
            P    4   1.00
                  2.8742240000          -0.46624086918
                  2.1199010000           0.45883133891
                  0.78845821105          0.58853912475
                  0.36332579847          0.35822232244
            P    1   1.00
                  0.14951762021          1.0000000
            P    1   1.00
                  0.67000000000D-01      1.0000000
            P    1   1.00
                  0.30000000000D-01      1.0000000
            D    4   1.00
                  4.2898623878          -0.12212868080D-01
                  1.3615557498           0.19692423520
                  0.56937550689          0.42057831659
                  0.22674948677          0.42757027999
            D    1   1.00
                  0.83011031631D-01      1.0000000
            F    1   1.00
                  0.3926100              1.0000000
            ****
            -Nb     0
            S    3   1.00
                  6.5663010000          -0.94917907866
                  4.5864380000           1.5736372883
                  3.7537700000           0.36380422981
            S    1   1.00
                  0.84187717437          1.0000000
            S    1   1.00
                  0.38160666177          1.0000000
            S    1   1.00
                  0.85819911368D-01      1.0000000
            S    1   1.00
                  0.32702330370D-01      1.0000000
            P    4   1.00
                  3.0700630000          -0.51025115881
                  2.2379640000           0.53570598017
                  0.80801969671          0.63102216351
                  0.35783343432          0.30205908942
            P    1   1.00
                  0.13820085283          1.0000000
            P    1   1.00
                  0.70500000000D-01      1.0000000
            P    1   1.00
                  0.0360000              1.0000000
            D    4   1.00
                  4.6170975867          -0.13574476955D-01
                  1.5663438480           0.20374310496
                  0.66952425826          0.42997453105
                  0.27140946867          0.4179975484761
            D    1   1.00
                  0.10054426592          1.0000000
            F    1   1.00
                  0.5227000              1.0000000
            ****
            -Mo     0
            S    3   1.00
                  7.2033800000          -0.89310617237
                  5.0522950000           1.6074095756
                  2.9135330000           0.27804186088
            S    1   1.00
                  0.97858218681          1.0000000
            S    1   1.00
                  0.44369153753          1.0000000
            S    1   1.00
                  0.92150090705D-01      1.0000000
            S    1   1.00
                  0.34802246935D-01      1.0000000
            P    4   1.00
                  3.1518660000          -0.71873040872
                  2.4534820000           0.76442887870
                  0.85030192180          0.64808585640
                  0.36918237179          0.26792115234
            P    1   1.00
                  0.13490627460          1.0000000
            P    1   1.00
                  0.71800000000D-01      1.0000000
            P    1   1.00
                  0.38200000000D-01      1.0000000
            D    4   1.00
                  5.0044445497          -0.21587364862D-01
                  1.7736823324           0.20958680086
                  0.76950591696          0.43730880599
                  0.31530878939          0.41123927009
            D    1   1.00
                  0.11754374390          1.0000000
            F    1   1.00
                  0.6554500              1.0000000
            ****
            -Tc     0
            S    3   1.00
                  7.4344020000          -1.1436289973
                  5.5513270000           1.8752000559
                  3.0230860000           0.23952854431
            S    1   1.00
                  1.0647443990           1.0000000
            S    1   1.00
                  0.48127808497          1.0000000
            S    1   1.00
                  0.98299016952D-01      1.0000000
            S    1   1.00
                  0.36659977936D-01      1.0000000
            P    4   1.00
                  3.4490050000          -0.72277510434
                  2.6927370000           0.76458962802
                  0.94427370692          0.64533225171
                  0.41348148619          0.27195668811
            P    1   1.00
                  0.15488152305          1.0000000
            P    1   1.00
                  0.79000000000D-01      1.0000000
            P    1   1.00
                  0.40300000000D-01      1.0000000
            D    4   1.00
                  5.0906268699          -0.32176405405D-01
                  2.0156178510           0.21280802536
                  0.88113887240          0.44403309175
                  0.36427094833          0.40796933085
            D    1   1.00
                  0.13678402297          1.0000000
            F    1   1.00
                  0.7908500              1.0000000
            ****
            -Ru     0
            S    3   1.00
                  7.9365700000          -1.1772083350
                  5.9842450000           1.6197059592
                  4.8822200000           0.51065807556
            S    1   1.00
                  1.1031002163           1.0000000
            S    1   1.00
                  0.49818875261          1.0000000
            S    1   1.00
                  0.10678711393          1.0000000
            S    1   1.00
                  0.39191775872D-01      1.0000000
            P    4   1.00
                  3.7546090000          -0.70777873563
                  2.9165710000           0.74954391484
                  1.0322209568           0.64660609645
                  0.45249553774          0.27029086816
            P    1   1.00
                  0.16987042198          1.0000000
            P    1   1.00
                  0.85500000000D-01      1.0000000
            P    1   1.00
                  0.43000000000D-01      1.0000000
            D    4   1.00
                  5.7341846619          -0.35266111560D-01
                  2.2483686294           0.21802502222
                  0.98376978359          0.44709565013
                  0.40379445583          0.40371732508
            D    1   1.00
                  0.14978618173          1.0000000
            F    1   1.00
                  0.9431400              1.0000000
            ****
            -Rh     0
            S    3   1.00
                  7.9177440000           0.14014042010165D+01
                  6.8412070000          -0.17975072656312D+01
                  2.9598400000          -0.16225754496571
            S    1   1.00
                  1.3166643441            .87495110714057
            S    1   1.00
                  0.56907152172          1.0000000
            S    1   1.00
                  0.10059695193          1.0000000
            S    1   1.00
                  0.37071460798D-01      1.0000000
            P    4   1.00
                  4.1360790000          -0.55183328017626
                  2.9462810000           0.61370533515352
                  1.0792431924           0.64005434538256
                  0.46611217769          0.25958050755066
            P    1   1.00
                  0.17453169991          1.0000000
            P    1   1.00
                  0.84600000000D-01      1.0000000
            P    1   1.00
                  0.0410000              1.0000000
            D    4   1.00
                  6.8847131641          -0.15962387984517D-01
                  2.3837304391           0.23047555828858
                  1.0184384022           0.44075804027937
                  0.39957494644          0.39567661995894
            D    1   1.00
                  0.13951120264          1.0000000
            F    1   1.00
                  1.0949900              1.0000000
            ****
            -Pd     0
            S    3   1.00
                  8.4756400000           1.2392391076
                  7.1657170000          -1.6563109970
                  3.1821100000          -0.13178619060
            S    1   1.00
                  1.3973644196           1.0000000
            S    1   1.00
                  0.60532955868          1.0000000
            S    1   1.00
                  0.10229514209          1.0000000
            S    1   1.00
                  0.37338972881D-01      1.0000000
            P    4   1.00
                  4.2460970000          -0.82324104973
                  3.3925940000           0.87084659933
                  1.1975891264           0.63512225791
                  0.52673750585          0.27225338752
            P    1   1.00
                  0.20607094098          1.0000000
            P    1   1.00
                  0.87300000000D-01      1.0000000
            P    1   1.00
                  0.37000000000D-01      1.0000000
            D    4   1.00
                  7.3613290985          -0.17199885828D-01
                  2.6291037258           0.23313745275
                  1.1292744634           0.44536385867
                  0.44471659896          0.39293650406
            D    1   1.00
                  0.15544893836          1.0000000
            F    1   1.00
                  1.2462900              1.0000000
            ****
            -Ag     0
            S    3   1.00
                  9.0884420000          -1.9808918797
                  7.5407310000           2.7554513347
                  2.7940050000           0.22715408381
            S    1   1.00
                  1.4918135849           1.0000000
            S    1   1.00
                  0.63579159445          1.0000000
            S    1   1.00
                  0.10368414161          1.0000000
            S    1   1.00
                  0.37460004363D-01      1.0000000
            P    4   1.00
                  4.4512400000          -0.99352103771
                  3.6752630000           1.0500525237
                  1.2610620905           0.64747532537
                  0.54212477498          0.25621550723
            P    1   1.00
                  0.20221617026          1.0000000
            P    1   1.00
                  0.91300000000D-01      1.0000000
            P    1   1.00
                  0.0412000              1.0000000
            D    4   1.00
                  7.7956672292          -0.17042912377D-01
                  2.8926510238           0.23446154803
                  1.2474273203           0.44765877533
                  0.49313817671          0.39064954560
            D    1   1.00
                  0.17285032603          1.0000000
            F    1   1.00
                  1.3971100              1.0000000
            ****
            -Cd     0
            S    3   1.00
                  9.7270110000          -1.7930075316
                  7.8375230000           2.6110318971
                  5.0891940000           0.10748428949
            S    1   1.00
                  1.4981738327           1.0000000
            S    1   1.00
                  0.67281383129          1.0000000
            S    1   1.00
                  0.13297424875          1.0000000
            S    1   1.00
                  0.46915090488D-01      1.0000000
            P    4   1.00
                  4.7427160000          -1.0411923051
                  3.9366550000           1.1003682332
                  1.3569243142           0.65366639411
                  0.58791569541          0.24632369113
            P    1   1.00
                  0.21371239619          1.0000000
            P    1   1.00
                  0.10500000000          1.0000000
            P    1   1.00
                  0.0516000              1.0000000
            D    4   1.00
                  7.8631040859          -0.21376239365D-01
                  3.2935059133           0.22596399568
                  1.4503676025           0.45294402972
                  0.59373316766          0.39218971958231D+00
            D    1   1.00
                  0.21760141520          1.0000000
            F    1   1.00
                  1.5981300              1.0000000
            ****
            -In     0
            S    6   1.00
                283.52297445             0.70132141424D-03
                 23.324282101           -0.90887432418D-01
                 16.868026844            0.28096825177
                  6.7866498137          -0.70697832452
                  1.6782596016           0.98671644913
                  0.78396870439          0.62568576302
            S    2   1.00
                  1.8276654775          -0.34151640249
                  0.83753492534         -0.59696724334
            S    1   1.00
                  0.16643068973          1.0000000
            S    1   1.00
                  0.61143742809D-01      1.0000000
            S    1   1.00
                  0.25528481617D-01      1.0000000
            P    4   1.00
                 14.699191826            0.92248042349D-01
                  8.8709038051          -0.32437029300
                  1.1342905889           0.61162217018
                  0.52667652433          0.17609640386
            P    1   1.00
                  2.3284433667           1.0000000
            P    1   1.00
                  0.16859144934          1.0000000
            P    1   1.00
                  0.50070381081D-01      1.0000000
            D    5   1.00
                 31.378655926            0.54007004722D-02
                 18.290046326           -0.11208558948D-01
                  3.2551894590           0.30384519161
                  1.3874842584           0.54078109979
                  0.54248962672          0.38232680038
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.41325112998D-01      1.0000000
            ****
            -Sn     0
            S    6   1.00
                375.95156177             0.15224884228D-02
                 23.661818008           -0.16776065030
                 19.946281315            0.33989090393
                  6.8240270454          -0.84441791529
                  1.8771488722           0.92646952846
                  0.82033199226          0.53091094490
            S    2   1.00
                 10.341549887           -0.90331119154D-02
                  1.3672524155           0.22980877714
            S    1   1.00
                  0.18314843823          1.0000000
            S    1   1.00
                  0.69547226146D-01      1.0000000
            S    1   1.00
                  0.34867474697D-01      1.0000000
            P    4   1.00
                 21.293597748            0.37103218279D-01
                  8.8171842499          -0.32351709661
                  1.2347028371           0.83846760898
                  0.57869142617          0.23294977050
            P    1   1.00
                  2.5084050284           1.0000000
            P    1   1.00
                  0.21298577719          1.0000000
            P    1   1.00
                  0.67364584657D-01      1.0000000
            D    5   1.00
                 39.693023177            0.39185734275D-02
                 20.852179275           -0.68210073667D-02
                  3.6907832774           0.27938420495
                  1.5849404530           0.52607409874
                  0.62772693365          0.36149465348
            D    1   1.00
                  0.20500000000          1.0000000
            D    1   1.00
                  0.54356625231D-01      1.0000000
            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
                  1.9052000235           0.92017581656
                  0.93007107773          0.46754079597
            S    2   1.00
                 10.584496987           -0.14845336778D-01
                  1.4680242769           0.35289492025
            S    1   1.00
                  0.21621190032          1.0000000
            S    1   1.00
                  0.83546307041D-01      1.0000000
            S    1   1.00
                  0.43729879440D-01      1.0000000
            P    4   1.00
                 15.926550950            0.13206950012
                 10.052739237           -0.41511149340
                  1.2682183726           0.74197972626
                  0.57196620929          0.15580772750
            P    1   1.00
                  2.6190751238           1.0000000
            P    1   1.00
                  0.25183282652          1.0000000
            P    1   1.00
                  0.83389127684D-01      1.0000000
            D    5   1.00
                 45.485063360            0.32556415807D-02
                 18.504059617           -0.54952972010D-02
                  3.9156032308           0.27988806353
                  1.7142196009           0.51273377761
                  0.69675478242          0.33288802736
            D    1   1.00
                  0.23060000000          1.0000000
            D    1   1.00
                  0.66830850850D-01      1.0000000
            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
                  2.0705998798           0.79192928400
                  0.97715185085          0.40558342540
            S    2   1.00
                 11.263563841           -0.15212984183D-01
                  1.6122696062           0.35202140517
            S    1   1.00
                  0.25095401705          1.0000000
            S    1   1.00
                  0.97478452576D-01      1.0000000
            S    1   1.00
                  0.38352170654D-01      1.0000000
            P    4   1.00
                 17.479502221            0.11517799182
                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
                  0.59239616258          0.15283299018
            P    1   1.00
                  2.7961737670           1.0000000
            P    1   1.00
                  0.29766401026          1.0000000
            P    1   1.00
                  0.96151090240D-01      1.0000000
            P    1   1.00
                  0.26339831052D-01      1.0000000
            D    5   1.00
                 50.821835991            0.33763474774D-02
                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
                  0.77069282849          0.32213541689
            D    1   1.00
                  0.25000000000          1.0000000
            D    1   1.00
                  0.66543837442D-01      1.0000000
            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
                 11.720547572           -0.16160234511D-01
                  1.7625986449           0.35271525193
            S    1   1.00
                  0.28697476318          1.0000000
            S    1   1.00
                  0.11227609607          1.0000000
            S    1   1.00
                  0.45123635492D-01      1.0000000
            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
                  3.0288656771           1.0000000
            P    1   1.00
                  0.34506591841          1.0000000
            P    1   1.00
                  0.11134513813          1.0000000
            P    1   1.00
                  0.29795507230D-01      1.0000000
            D    5   1.00
                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
                  0.87640281623          0.31232025297
            D    1   1.00
                  0.30900000000          1.0000000
            D    1   1.00
                  0.77987255180D-01      1.0000000
            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
                 18.048324490            0.57524870348
            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
                  2.6257211320           1.0000000
            S    1   1.00
                  1.2905042943           1.0000000
            S    1   1.00
                  0.36204185060          1.0000000
            S    1   1.00
                  0.14069888091          1.0000000
            S    1   1.00
                  0.50201095588D-01      1.0000000
            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
                  0.52321923128          1.0000000
            P    1   1.00
                  0.21945569800          1.0000000
            P    1   1.00
                  0.86158996836D-01      1.0000000
            P    1   1.00
                  0.23749464135D-01      1.0000000
            D    6   1.00
                135.60300038             0.81873543290D-03
                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
                  1.2938205124           0.36029482992
            D    1   1.00
                  0.58050830139          1.0000000
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.68002755933D-01      1.0000000
            F    1   1.00
                  2.5000000              1.0000000
            F    1   1.00
                  0.49652793             1.0000000
            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
                  0.37485237136          1.0000000
            S    1   1.00
                  0.16384858778          1.0000000
            S    1   1.00
                  0.27230462048D-01      1.0000000
            S    1   1.00
                  0.11991533212D-01      1.0000000
            P    4   1.00
                  4.2751856154           0.45723074174D-01
                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
                  0.91450850296D-01      1.0000000
            P    1   1.00
                  0.17592078473D-01      1.0000000
            P    1   1.00
                  0.33986441258D-02      1.0000000
            D    1   1.00
                  0.1330000              1.0000000
            D    1   1.00
                  0.33216214821D-01      1.0000000
            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
                  0.27420073547          1.0000000
            S    1   1.00
                  0.40933264188D-01      1.0000000
            S    1   1.00
                  0.18060156423D-01      1.0000000
            P    4   1.00
                  2.9267420000           0.79815276764
                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
                  0.13221792446          1.0000000
            P    1   1.00
                  0.33039565349D-01      1.0000000
            P    1   1.00
                  0.14159090510D-01      1.0000000
            D    4   1.00
                  0.9663150             -0.9089380
                  0.8938280              0.9472400
                  0.2731950              0.3220570
                  0.1038910              0.4732600
            D    1   1.00
                  0.0355780              0.365977
            F    4   1.00
                 10.00                   0.073
                  3.20                   0.210
                  1.00                   0.350
                  0.32                   0.360
            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
                  0.48954926461          1.0000000
            S    1   1.00
                  0.23292032550          1.0000000
            S    1   1.00
                  0.55595529876D-01      1.0000000
            S    1   1.00
                  0.22795184937D-01      1.0000000
            P    4   1.00
                  3.0251610000          -0.28580266654872D+00
                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
                  0.32519427171         -0.58864843929619D+00
            P    1   1.00
                  0.13635489374          1.0000000
            P    1   1.00
                  0.58500000000D-01      1.0000000
            P    1   1.00
                  0.0251000              1.0000000
            D    4   1.00
                  1.2667182018          -0.17445579381106D+00
                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
                  0.13398788830          0.44878277154181D+00
            D    1   1.00
                  0.51275503081D-01      1.0000000
            F    1   1.00
                  0.2568300              1.0000000
            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
                  0.79665469409          1.0000000
            S    1   1.00
                  0.34234072894          1.0000000
            S    1   1.00
                  0.98109197714D-01      1.0000000
            S    1   1.00
                  0.36190984443D-01      1.0000000
            P    4   1.00
                  6.7265310000           0.65076205465872
                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
                  0.20258973792          1.0000000
            P    1   1.00
                  0.82500000000D-01      1.0000000
            P    1   1.00
                  0.0336000              1.0000000
            D    4   1.00
                  3.9820623229          -0.042446023944105
                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
                  0.73099858787D-01      1.0000000
            F    1   1.00
                  0.3154700              1.0000000
            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
                  0.39142776556D-01      1.0000000
            P    4   1.00
                  7.4188720000           0.26979695152
                  5.6984100000          -0.46968874449
                  1.1777211960           0.50905100155
                  0.54478533555          0.52298161137
            P    1   1.00
                  0.22309270117          1.0000000
            P    1   1.00
                  0.98100000000D-01      1.0000000
            P    1   1.00
                  0.0431000              1.0000000
            D    4   1.00
                  3.9738796278          -0.52799310714D-01
                  1.4528884813           0.18558319471
                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
                  0.87909318337D-01      1.0000000
            F    1   1.00
                  0.3738600              1.0000000
            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
            S    1   1.00
                  0.92785370307          1.0000000
            S    1   1.00
                  0.40334458241          1.0000000
            S    1   1.00
                  0.11585976646          1.0000000
            S    1   1.00
                  0.41800474073D-01      1.0000000
            P    4   1.00
                  7.2496570000           0.45857265530
                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
                  0.24106964301          1.0000000
            P    1   1.00
                  0.98600000000D-01      1.0000000
            P    1   1.00
                  0.0403000              1.0000000
            D    4   1.00
                  4.0131231332          -0.63416491808D-01
                  1.6237452450           0.18452733732
                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
                  0.10225296446          1.0000000
            F    1   1.00
                  0.4319900              1.0000000
            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
            S    1   1.00
                  0.43949851581D-01      1.0000000
            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
                  0.25922718696          1.0000000
            P    1   1.00
                  0.11190000000          1.0000000
            P    1   1.00
                  0.04200000000          1.0000000
            D    4   1.00
                  4.0616274916          -0.76667295205D-01
                  1.8487943286           0.18067495215
                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
                  0.11892742980          1.0000000
            F    1   1.00
                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
                  0.46783543749          1.0000000
            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
                  0.47101982911D-01      1.0000000
            P    4   1.00
                  7.9362790000           0.33899369659
                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
                  0.12830000000          1.0000000
            P    1   1.00
                  0.04800000000          1.0000000
            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
                  0.31306011113          1.0000000
            P    1   1.00
                  0.13100000000          1.0000000
            P    1   1.00
                  0.0548000              1.0000000
            D    4   1.00
                  3.6994850000          -0.54840155964653
                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
                  0.48989034059D-01      1.0000000
            P    4   1.00
                  8.1000000000           0.72955608128
                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
                  0.30270484669          1.0000000
            P    1   1.00
                  0.12300000000          1.0000000
            P    1   1.00
                  0.50000000000D-01      1.0000000
            D    4   1.00
                  4.6299536825          -0.87774450596D-01
                  2.1980241252           0.21158360681
                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
                  0.48876985527D-01      1.0000000
            P    4   1.00
                  8.6096650000           0.50053018599
                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
                  0.32384840661          1.0000000
            P    1   1.00
                  0.13220000000          1.0000000
            P    1   1.00
                  0.0540000              1.0000000
            D    4   1.00
                  4.1439490000          -0.37099566643
                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
                  0.16490636769          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
                  9.7729900000           0.21210940502
                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
                  0.34494917659          1.0000000
            P    1   1.00
                  0.15540000000          1.0000000
            P    1   1.00
                  0.07000000000          1.0000000
            D    4   1.00
                  4.2800000000          -0.32033414305491
                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
                  0.18501599388          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/Gau-6688.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      6689.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer11_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer11_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.999465000000     -1.196404000000      0.969136000000
  C                                                 1.596854000000     -0.854615000000     -0.242805000000
  C                                                -0.373383000000     -1.089601000000      1.148990000000
  C                                                -1.197567000000     -0.646006000000      0.118540000000
  C                                                -0.607540000000     -0.309456000000     -1.099214000000
  C                                                 0.764497000000     -0.415297000000     -1.273478000000
  C                                                 3.089352000000     -0.933039000000     -0.426740000000
  C                                                 3.863458000000      0.355956000000     -0.060011000000
  C                                                 3.724742000000      0.714773000000      1.418841000000
  C                                                 3.474654000000      1.538350000000     -0.946480000000
  C                                                -2.698290000000     -0.547550000000      0.336035000000
  C                                                -3.112492000000      0.912406000000      0.380989000000
  O                                                -3.301927000000      1.545130000000      1.386242000000
  O                                                -3.236904000000      1.461286000000     -0.851756000000
  H                                                 1.615792000000     -1.553364000000      1.784982000000
  H                                                -0.810943000000     -1.358118000000      2.102796000000
  H                                                -1.221792000000      0.044896000000     -1.915977000000
  H                                                 1.198598000000     -0.153574000000     -2.230639000000
  H                                                 3.310060000000     -1.178961000000     -1.468652000000
  H                                                 3.483227000000     -1.751920000000      0.180680000000
  H                                                 4.918355000000      0.129746000000     -0.250425000000
  H                                                 2.693477000000      0.972860000000      1.666766000000
  H                                                 4.350853000000      1.574253000000      1.666193000000
  H                                                 4.026509000000     -0.115358000000      2.061505000000
  H                                                 3.596304000000      1.300958000000     -2.005766000000
  H                                                 4.098076000000      2.406584000000     -0.724159000000
  H                                                 2.434212000000      1.826365000000     -0.784696000000
  H                                                -2.911214000000     -0.920205000000      1.337383000000
  C                                                -3.505151000000     -1.357997000000     -0.684885000000
  H                                                -3.465219000000      2.394674000000     -0.720115000000
  H                                                -3.324283000000     -1.011646000000     -1.700587000000
  H                                                -4.575148000000     -1.279853000000     -0.485627000000
  H                                                -3.217816000000     -2.407791000000     -0.623061000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.999465   -1.196404    0.969136
      2          6           0        1.596854   -0.854615   -0.242805
      3          6           0       -0.373383   -1.089601    1.148990
      4          6           0       -1.197567   -0.646006    0.118540
      5          6           0       -0.607540   -0.309456   -1.099214
      6          6           0        0.764497   -0.415297   -1.273478
      7          6           0        3.089352   -0.933039   -0.426740
      8          6           0        3.863458    0.355956   -0.060011
      9          6           0        3.724742    0.714773    1.418841
     10          6           0        3.474654    1.538350   -0.946480
     11          6           0       -2.698290   -0.547550    0.336035
     12          6           0       -3.112492    0.912406    0.380989
     13          8           0       -3.301927    1.545130    1.386242
     14          8           0       -3.236904    1.461286   -0.851756
     15          1           0        1.615792   -1.553364    1.784982
     16          1           0       -0.810943   -1.358118    2.102796
     17          1           0       -1.221792    0.044896   -1.915977
     18          1           0        1.198598   -0.153574   -2.230639
     19          1           0        3.310060   -1.178961   -1.468652
     20          1           0        3.483227   -1.751920    0.180680
     21          1           0        4.918355    0.129746   -0.250425
     22          1           0        2.693477    0.972860    1.666766
     23          1           0        4.350853    1.574253    1.666193
     24          1           0        4.026509   -0.115358    2.061505
     25          1           0        3.596304    1.300958   -2.005766
     26          1           0        4.098076    2.406584   -0.724159
     27          1           0        2.434212    1.826365   -0.784696
     28          1           0       -2.911214   -0.920205    1.337383
     29          6           0       -3.505151   -1.357997   -0.684885
     30          1           0       -3.465219    2.394674   -0.720115
     31          1           0       -3.324283   -1.011646   -1.700587
     32          1           0       -4.575148   -1.279853   -0.485627
     33          1           0       -3.217816   -2.407791   -0.623061
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.393734   0.000000
     3  C    1.388692   2.423664   0.000000
     4  C    2.419380   2.825398   1.392079   0.000000
     5  C    2.765360   2.426930   2.391208   1.394390   0.000000
     6  C    2.386348   1.395745   2.760038   2.416741   1.387103
     7  C    2.526946   1.505833   3.807620   4.330981   3.808948
     8  C    3.416346   2.576119   4.637040   5.162343   4.638161
     9  C    3.358864   3.122812   4.485891   5.269879   5.114520
    10  C    4.156323   3.122110   5.109257   5.266434   4.483528
    11  C    3.807259   4.344837   2.521886   1.519594   2.547129
    12  C    4.658453   5.068473   3.478588   2.482834   3.155746
    13  O    5.117808   5.693033   3.946450   3.291880   4.108126
    14  O    5.322197   5.394389   4.325478   3.088859   3.179673
    15  H    1.082998   2.144884   2.139247   3.393423   3.848259
    16  H    2.142175   3.398948   1.083193   2.143328   3.375490
    17  H    3.846906   3.399028   3.376522   2.148765   1.081653
    18  H    3.371307   2.145122   3.843067   3.391569   2.136950
    19  H    3.358863   2.131426   4.519711   4.808526   4.029902
    20  H    2.664458   2.131408   4.031096   4.810066   4.522522
    21  H    4.313201   3.464303   5.607821   6.175956   5.607928
    22  H    2.839379   2.861592   3.731952   4.489761   4.493517
    23  H    4.403888   4.138621   5.448121   6.173309   5.981764
    24  H    3.394838   3.429223   4.597922   5.598899   5.612685
    25  H    4.672305   3.428167   5.605861   5.593259   4.592121
    26  H    5.044815   4.138023   5.977118   6.170274   5.446133
    27  H    3.777772   2.860501   4.486044   4.485340   3.730001
    28  H    3.937677   4.777444   2.550446   2.120695   3.408362
    29  C    4.801402   5.145802   3.639108   2.545067   3.109221
    30  H    5.973509   6.034094   5.019280   3.884755   3.952514
    31  H    5.084914   5.134917   4.102923   2.822381   2.869741
    32  H    5.761910   6.191397   4.512538   3.489245   4.130384
    33  H    4.667763   5.073263   3.601193   2.781234   3.382791
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.527840   0.000000
     8  C    3.416269   1.547656   0.000000
     9  C    4.157967   2.554442   1.528069   0.000000
    10  C    3.356876   2.554672   1.528088   2.517055   0.000000
    11  C    3.820853   5.850404   6.635489   6.634853   6.640863
    12  C    4.419400   6.520810   7.011989   6.918379   6.748664
    13  O    5.239579   7.090605   7.405979   7.075637   7.166846
    14  O    4.439665   6.777532   7.229368   7.360530   6.712669
    15  H    3.372548   2.729083   3.478722   3.118682   4.524925
    16  H    3.843195   4.668142   5.428242   5.033598   6.004494
    17  H    2.137739   4.664777   5.422281   6.003161   5.022642
    18  H    1.083097   2.727007   3.474583   4.522625   3.113214
    19  H    2.664801   1.093055   2.155572   3.477902   2.771919
    20  H    3.360451   1.093006   2.155377   2.770550   3.477994
    21  H    4.312568   2.122699   1.095553   2.133874   2.133760
    22  H    3.780606   2.858660   2.175129   1.091597   2.785511
    23  H    5.045981   3.501181   2.168313   1.091743   2.755916
    24  H    4.674698   2.781767   2.179347   1.092336   3.476675
    25  H    3.391299   2.782277   2.179533   3.476786   1.092355
    26  H    4.401990   3.501295   2.168228   2.755731   1.091747
    27  H    2.837588   2.858610   2.174860   2.785082   1.091626
    28  H    4.536781   6.254525   7.034023   6.834888   7.213864
    29  C    4.411918   6.613221   7.591080   7.809827   7.561411
    30  H    5.108096   7.356775   7.635549   7.687180   6.996168
    31  H    4.154055   6.539387   7.498363   7.899374   7.300459
    32  H    5.466258   7.672569   8.606224   8.746068   8.541309
    33  H    4.500210   6.480263   7.622320   7.881553   7.775975
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.518241   0.000000
    13  O    2.417979   1.202813   0.000000
    14  O    2.395073   1.355141   2.240512   0.000000
    15  H    4.660731   5.514335   5.826115   6.291992   0.000000
    16  H    2.709344   3.662926   3.891953   4.750127   2.455233
    17  H    2.757281   3.098931   4.181186   2.683170   4.929849
    18  H    4.682816   5.151933   6.018484   4.917598   4.273017
    19  H    6.305224   7.003154   7.699965   7.086198   3.687391
    20  H    6.299666   7.116338   7.639518   7.520025   2.469924
    21  H    7.669156   8.093562   8.500296   8.285098   4.228790
    22  H    5.757920   5.946945   6.029184   6.461496   2.749034
    23  H    7.480761   7.602060   7.657954   7.995429   4.156520
    24  H    6.956073   7.405793   7.544480   7.983111   2.820617
    25  H    6.965840   7.131305   7.690964   6.931823   5.141921
    26  H    7.486088   7.446221   7.743122   7.396743   5.304593
    27  H    5.764901   5.741086   6.139654   5.683251   4.323844
    28  H    1.089452   2.076937   2.496582   3.251139   4.592931
    29  C    1.533012   2.538700   3.571976   2.836928   5.688802
    30  H    3.218744   1.879884   2.277088   0.969882   6.905012
    31  H    2.180615   2.842497   4.008256   2.616016   6.070172
    32  H    2.175774   2.774236   3.620154   3.072261   6.599865
    33  H    2.156448   3.470291   4.435083   3.875877   5.467402
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276422   0.000000
    18  H    4.926240   2.448814   0.000000
    19  H    5.456189   4.715465   2.467856   0.000000
    20  H    4.721176   5.455431   3.686285   1.754584   0.000000
    21  H    6.369949   6.362599   4.223519   2.404871   2.405434
    22  H    4.231376   5.387624   4.323573   3.852448   3.202590
    23  H    5.952609   6.798915   5.301641   4.300080   3.744723
    24  H    4.994707   6.587162   5.140140   3.755870   2.551665
    25  H    6.585954   4.979940   2.813401   2.553512   3.756780
    26  H    6.801700   5.941296   4.151008   3.745847   4.299992
    27  H    5.386054   4.221350   2.745478   3.204199   3.851819
    28  H    2.277886   3.790767   5.496277   6.829717   6.551228
    29  C    3.876844   2.949140   5.095610   6.862466   7.052787
    30  H    5.394206   3.461865   5.525074   7.696465   8.141657
    31  H    4.571941   2.362867   4.633972   6.640504   7.101363
    32  H    4.568949   3.878899   6.135936   7.946888   8.099643
    33  H    3.784858   3.416346   5.212534   6.696134   6.780866
                   21         22         23         24         25
    21  H    0.000000
    22  H    3.055576   0.000000
    23  H    2.466188   1.763113   0.000000
    24  H    2.490077   1.765506   1.765292   0.000000
    25  H    2.490136   3.796082   3.758632   4.328247   0.000000
    26  H    2.466024   3.121696   2.543709   3.758356   1.765418
    27  H    3.055311   2.608708   3.121527   3.795597   1.765651
    28  H    8.057647   5.924926   7.685574   7.021690   7.645783
    29  C    8.564904   7.027528   8.708757   8.112503   7.697105
    30  H    8.696828   6.756352   8.213315   8.376375   7.260456
    31  H    8.446705   7.175707   8.770963   8.306071   7.303136
    32  H    9.600463   7.908250   9.615079   9.046128   8.703105
    33  H    8.530840   7.184392   8.853367   8.058684   7.880287
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.763168   0.000000
    28  H    8.027928   6.373417   0.000000
    29  C    8.484260   6.739893   2.152671   0.000000
    30  H    7.563305   5.927093   3.940640   3.753049   0.000000
    31  H    8.229770   6.484861   3.067287   1.088266   3.547422
    32  H    9.427170   7.672624   2.494271   1.091194   3.845657
    33  H    8.758465   7.063967   2.479971   1.090161   4.809813
                   31         32         33
    31  H    0.000000
    32  H    1.764292   0.000000
    33  H    1.766810   1.770165   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.67D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.999465   -1.196404    0.969136
      2          6           0        1.596854   -0.854615   -0.242805
      3          6           0       -0.373383   -1.089601    1.148990
      4          6           0       -1.197567   -0.646006    0.118540
      5          6           0       -0.607540   -0.309456   -1.099214
      6          6           0        0.764497   -0.415297   -1.273478
      7          6           0        3.089352   -0.933039   -0.426740
      8          6           0        3.863458    0.355956   -0.060011
      9          6           0        3.724742    0.714773    1.418841
     10          6           0        3.474654    1.538350   -0.946480
     11          6           0       -2.698290   -0.547550    0.336035
     12          6           0       -3.112492    0.912406    0.380989
     13          8           0       -3.301927    1.545130    1.386242
     14          8           0       -3.236904    1.461286   -0.851756
     15          1           0        1.615792   -1.553364    1.784982
     16          1           0       -0.810943   -1.358118    2.102796
     17          1           0       -1.221792    0.044896   -1.915977
     18          1           0        1.198598   -0.153574   -2.230639
     19          1           0        3.310060   -1.178961   -1.468652
     20          1           0        3.483227   -1.751920    0.180680
     21          1           0        4.918355    0.129746   -0.250425
     22          1           0        2.693477    0.972860    1.666766
     23          1           0        4.350853    1.574253    1.666193
     24          1           0        4.026509   -0.115358    2.061505
     25          1           0        3.596304    1.300958   -2.005766
     26          1           0        4.098076    2.406584   -0.724159
     27          1           0        2.434212    1.826365   -0.784696
     28          1           0       -2.911214   -0.920205    1.337383
     29          6           0       -3.505151   -1.357997   -0.684885
     30          1           0       -3.465219    2.394674   -0.720115
     31          1           0       -3.324283   -1.011646   -1.700587
     32          1           0       -4.575148   -1.279853   -0.485627
     33          1           0       -3.217816   -2.407791   -0.623061
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1743027           0.2878852           0.2796173
 Leave Link  202 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   480 symmetry adapted cartesian basis functions of A   symmetry.
 There are   450 symmetry adapted basis functions of A   symmetry.
   450 basis functions,   666 primitive gaussians,   480 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       983.9721115949 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0630703713 Hartrees.
 Nuclear repulsion after empirical dispersion term =      983.9090412237 Hartrees.
 Leave Link  301 at Wed Sep  8 12:29:39 2021, MaxMem=  6442450944 cpu:               6.0 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   450 RedAO= T EigKep=  3.88D-06  NBF=   450
 NBsUse=   450 1.00D-06 EigRej= -1.00D+00 NBFU=   450
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   478   478   478   478   478 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep  8 12:29:41 2021, MaxMem=  6442450944 cpu:               6.5 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep  8 12:29:41 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer11_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:               6.5 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441981585 LenY=  6441750705
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 930000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.325858901087    
 DIIS: error= 2.54D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.325858901087     IErMin= 1 ErrMin= 2.54D-03
 ErrMax= 2.54D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-02 BMatP= 1.15D-02
 IDIUse=3 WtCom= 9.75D-01 WtEn= 2.54D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.220 Goal=   None    Shift=    0.000
 GapD=    0.220 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.73D-02 MaxDP=8.51D-01              OVMax= 1.35D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.10D-02    CP:  1.37D+00
 E= -656.335712376648     Delta-E=       -0.009853475561 Rises=F Damp=F
 DIIS: error= 8.17D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.335712376648     IErMin= 2 ErrMin= 8.17D-04
 ErrMax= 8.17D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.76D-04 BMatP= 1.15D-02
 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.17D-03
 Coeff-Com:  0.357D-01 0.964D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.354D-01 0.965D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=9.22D-04 MaxDP=4.84D-02 DE=-9.85D-03 OVMax= 7.42D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.47D-04    CP:  1.39D+00  1.04D+00
 E= -656.335556821892     Delta-E=        0.000155554756 Rises=F Damp=F
 DIIS: error= 1.03D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -656.335712376648     IErMin= 2 ErrMin= 8.17D-04
 ErrMax= 1.03D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.41D-04 BMatP= 3.76D-04
 IDIUse=3 WtCom= 2.37D-01 WtEn= 7.63D-01
 Coeff-Com: -0.132D-01 0.572D+00 0.441D+00
 Coeff-En:   0.000D+00 0.591D+00 0.409D+00
 Coeff:     -0.314D-02 0.586D+00 0.417D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=9.96D-05 MaxDP=4.58D-03 DE= 1.56D-04 OVMax= 4.33D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.74D-05    CP:  1.39D+00  1.04D+00  7.74D-01
 E= -656.336025818542     Delta-E=       -0.000468996650 Rises=F Damp=F
 DIIS: error= 1.70D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.336025818542     IErMin= 4 ErrMin= 1.70D-04
 ErrMax= 1.70D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.37D-05 BMatP= 3.76D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.70D-03
 Coeff-Com: -0.880D-02 0.288D+00 0.228D+00 0.492D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.878D-02 0.288D+00 0.228D+00 0.493D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=3.17D-05 MaxDP=1.44D-03 DE=-4.69D-04 OVMax= 1.09D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.38D-05    CP:  1.39D+00  1.04D+00  7.24D-01  9.65D-01
 E= -656.336036196520     Delta-E=       -0.000010377978 Rises=F Damp=F
 DIIS: error= 4.72D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.336036196520     IErMin= 5 ErrMin= 4.72D-05
 ErrMax= 4.72D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.10D-06 BMatP= 1.37D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.324D-02 0.801D-01 0.649D-01 0.285D+00 0.574D+00
 Coeff:     -0.324D-02 0.801D-01 0.649D-01 0.285D+00 0.574D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=1.12D-05 MaxDP=5.18D-04 DE=-1.04D-05 OVMax= 6.02D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.92D-06    CP:  1.39D+00  1.04D+00  7.25D-01  9.21D-01  8.25D-01
 E= -656.336037458934     Delta-E=       -0.000001262414 Rises=F Damp=F
 DIIS: error= 2.16D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.336037458934     IErMin= 6 ErrMin= 2.16D-05
 ErrMax= 2.16D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.48D-07 BMatP= 2.10D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.661D-03 0.512D-02 0.502D-02 0.103D+00 0.388D+00 0.499D+00
 Coeff:     -0.661D-03 0.512D-02 0.502D-02 0.103D+00 0.388D+00 0.499D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=7.43D-06 MaxDP=3.26D-04 DE=-1.26D-06 OVMax= 2.02D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.31D-06    CP:  1.39D+00  1.04D+00  7.30D-01  9.27D-01  8.11D-01
                    CP:  7.55D-01
 E= -656.336037900384     Delta-E=       -0.000000441450 Rises=F Damp=F
 DIIS: error= 2.50D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.336037900384     IErMin= 7 ErrMin= 2.50D-06
 ErrMax= 2.50D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.98D-09 BMatP= 5.48D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.138D-03-0.133D-02-0.691D-03 0.298D-01 0.139D+00 0.210D+00
 Coeff-Com:  0.623D+00
 Coeff:     -0.138D-03-0.133D-02-0.691D-03 0.298D-01 0.139D+00 0.210D+00
 Coeff:      0.623D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=1.48D-06 MaxDP=5.45D-05 DE=-4.41D-07 OVMax= 3.10D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.16D-06    CP:  1.39D+00  1.04D+00  7.30D-01  9.34D-01  8.33D-01
                    CP:  7.20D-01  8.60D-01
 E= -656.336037907122     Delta-E=       -0.000000006738 Rises=F Damp=F
 DIIS: error= 9.34D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.336037907122     IErMin= 8 ErrMin= 9.34D-07
 ErrMax= 9.34D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-09 BMatP= 7.98D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.194D-04-0.105D-02-0.716D-03 0.665D-02 0.405D-01 0.670D-01
 Coeff-Com:  0.325D+00 0.562D+00
 Coeff:     -0.194D-04-0.105D-02-0.716D-03 0.665D-02 0.405D-01 0.670D-01
 Coeff:      0.325D+00 0.562D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=4.94D-07 MaxDP=2.50D-05 DE=-6.74D-09 OVMax= 1.71D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.25D-07    CP:  1.39D+00  1.04D+00  7.31D-01  9.34D-01  8.30D-01
                    CP:  7.17D-01  8.76D-01  6.99D-01
 E= -656.336037908236     Delta-E=       -0.000000001114 Rises=F Damp=F
 DIIS: error= 3.66D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.336037908236     IErMin= 9 ErrMin= 3.66D-07
 ErrMax= 3.66D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.81D-10 BMatP= 1.21D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.581D-05-0.452D-03-0.334D-03 0.105D-03 0.656D-02 0.131D-01
 Coeff-Com:  0.113D+00 0.328D+00 0.541D+00
 Coeff:      0.581D-05-0.452D-03-0.334D-03 0.105D-03 0.656D-02 0.131D-01
 Coeff:      0.113D+00 0.328D+00 0.541D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=1.59D-07 MaxDP=6.11D-06 DE=-1.11D-09 OVMax= 7.10D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.03D-07    CP:  1.39D+00  1.04D+00  7.31D-01  9.34D-01  8.31D-01
                    CP:  7.22D-01  8.70D-01  7.40D-01  6.93D-01
 E= -656.336037908378     Delta-E=       -0.000000000142 Rises=F Damp=F
 DIIS: error= 9.17D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.336037908378     IErMin=10 ErrMin= 9.17D-08
 ErrMax= 9.17D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.51D-11 BMatP= 1.81D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.489D-05-0.160D-03-0.120D-03-0.561D-03 0.195D-03 0.120D-02
 Coeff-Com:  0.343D-01 0.132D+00 0.301D+00 0.532D+00
 Coeff:      0.489D-05-0.160D-03-0.120D-03-0.561D-03 0.195D-03 0.120D-02
 Coeff:      0.343D-01 0.132D+00 0.301D+00 0.532D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=4.84D-08 MaxDP=2.18D-06 DE=-1.42D-10 OVMax= 1.60D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.96D-08    CP:  1.39D+00  1.04D+00  7.31D-01  9.34D-01  8.31D-01
                    CP:  7.22D-01  8.74D-01  7.33D-01  6.99D-01  6.82D-01
 E= -656.336037908435     Delta-E=       -0.000000000057 Rises=F Damp=F
 DIIS: error= 2.25D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -656.336037908435     IErMin=11 ErrMin= 2.25D-08
 ErrMax= 2.25D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-12 BMatP= 1.51D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.179D-05-0.352D-04-0.251D-04-0.295D-03-0.443D-03-0.696D-03
 Coeff-Com:  0.626D-02 0.335D-01 0.980D-01 0.264D+00 0.600D+00
 Coeff:      0.179D-05-0.352D-04-0.251D-04-0.295D-03-0.443D-03-0.696D-03
 Coeff:      0.626D-02 0.335D-01 0.980D-01 0.264D+00 0.600D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=1.24D-08 MaxDP=4.68D-07 DE=-5.66D-11 OVMax= 3.47D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  8.74D-09    CP:  1.39D+00  1.04D+00  7.31D-01  9.34D-01  8.31D-01
                    CP:  7.22D-01  8.74D-01  7.36D-01  7.04D-01  6.80D-01
                    CP:  7.58D-01
 E= -656.336037908497     Delta-E=       -0.000000000062 Rises=F Damp=F
 DIIS: error= 7.02D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -656.336037908497     IErMin=12 ErrMin= 7.02D-09
 ErrMax= 7.02D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.53D-14 BMatP= 1.05D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.257D-06 0.157D-05 0.268D-05-0.762D-04-0.184D-03-0.453D-03
 Coeff-Com: -0.827D-03 0.958D-03 0.117D-01 0.621D-01 0.268D+00 0.659D+00
 Coeff:      0.257D-06 0.157D-05 0.268D-05-0.762D-04-0.184D-03-0.453D-03
 Coeff:     -0.827D-03 0.958D-03 0.117D-01 0.621D-01 0.268D+00 0.659D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=3.90D-09 MaxDP=1.33D-07 DE=-6.21D-11 OVMax= 1.15D-07

 SCF Done:  E(RB3LYP) =  -656.336037908     A.U. after   12 cycles
            NFock= 12  Conv=0.39D-08     -V/T= 2.0112
 KE= 6.490964175793D+02 PE=-3.490547756114D+03 EE= 1.201206259402D+03
 Leave Link  502 at Wed Sep  8 12:34:49 2021, MaxMem=  6442450944 cpu:            2445.8 elap:             306.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   450
 NBasis=   450 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    450 NOA=    56 NOB=    56 NVA=   394 NVB=   394

 **** Warning!!: The largest alpha MO coefficient is  0.61895364D+02

 Leave Link  801 at Wed Sep  8 12:34:50 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10031 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.68D-13 8.33D-09 XBig12= 1.00D+00 5.63D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.68D-13 8.33D-09 XBig12= 4.35D-01 1.61D-01.
     11 vectors produced by pass  2 Test12= 3.68D-13 8.33D-09 XBig12= 9.74D-02 1.15D-01.
     11 vectors produced by pass  3 Test12= 3.68D-13 8.33D-09 XBig12= 9.52D-03 2.37D-02.
     11 vectors produced by pass  4 Test12= 3.68D-13 8.33D-09 XBig12= 2.33D-03 1.52D-02.
     11 vectors produced by pass  5 Test12= 3.68D-13 8.33D-09 XBig12= 1.62D-04 1.86D-03.
     11 vectors produced by pass  6 Test12= 3.68D-13 8.33D-09 XBig12= 6.65D-06 3.79D-04.
     11 vectors produced by pass  7 Test12= 3.68D-13 8.33D-09 XBig12= 2.17D-07 6.95D-05.
     11 vectors produced by pass  8 Test12= 3.68D-13 8.33D-09 XBig12= 5.51D-09 1.28D-05.
     11 vectors produced by pass  9 Test12= 3.68D-13 8.33D-09 XBig12= 1.20D-10 1.46D-06.
      9 vectors produced by pass 10 Test12= 3.68D-13 8.33D-09 XBig12= 2.61D-12 2.36D-07.
      3 vectors produced by pass 11 Test12= 3.68D-13 8.33D-09 XBig12= 2.95D-14 2.17D-08.
      1 vectors produced by pass 12 Test12= 3.68D-13 8.33D-09 XBig12= 1.88D-14 9.21D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.56D-13
 Solved reduced A of dimension   123 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.214003D+03
      2 -0.181353D+01  0.137306D+03
      3 -0.792954D+00 -0.689302D+01  0.155783D+03
 Isotropic polarizability for W=    0.088559      169.03 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.161577D+03  0.556600D+02 -0.323636D+01
      2  -0.892907D+02 -0.285610D+02  0.159950D+02
      3  -0.722863D+02 -0.270990D+02 -0.127586D+02
      4  -0.219784D+02  0.644700D+02 -0.258041D+02
      5  -0.638023D+01 -0.283784D+02  0.963281D+02
      6  -0.119981D+02  0.126862D+02 -0.255627D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.404184D+01 -0.733981D+01  0.214935D+02
      2   0.101466D+02 -0.844421D+01  0.448394D+02
      3  -0.127275D+03 -0.331177D+02  0.124012D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.257434D+01 -0.330881D+01 -0.153628D+01
      2   0.314387D+01 -0.138060D+02  0.168614D+03
      3  -0.776385D+02 -0.153761D+03  0.163803D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.133492D+01 -0.722313D+00  0.165485D+02
      2  -0.722313D+00  0.728192D+00 -0.107372D+01
      3   0.165485D+02 -0.107372D+01 -0.214794D+01
 OR G Eigenvalues:   -17.0520     0.6328    16.3343  Iso=     0.0283
 Eigenvectors:
   (1)  -0.668481   0.017743   0.743518
   (2)   0.071465   0.996622   0.040469
   (3)   0.740288  -0.080188   0.667491
 w=    0.088559 a.u., Optical Rotation Beta=      0.0283 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =        6.95 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  101475 ScalPx= 5.66D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.39D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.13D-14 2.78D-09 XBig12= 1.00D+00 5.21D-01.
     30 vectors produced by pass  1 Test12= 6.13D-14 2.78D-09 XBig12= 5.92D-02 4.27D-02.
     30 vectors produced by pass  2 Test12= 6.13D-14 2.78D-09 XBig12= 1.93D-03 7.21D-03.
     30 vectors produced by pass  3 Test12= 6.13D-14 2.78D-09 XBig12= 3.83D-05 9.18D-04.
     30 vectors produced by pass  4 Test12= 6.13D-14 2.78D-09 XBig12= 6.01D-07 1.26D-04.
     30 vectors produced by pass  5 Test12= 6.13D-14 2.78D-09 XBig12= 8.78D-09 8.01D-06.
     30 vectors produced by pass  6 Test12= 6.13D-14 2.78D-09 XBig12= 5.33D-11 6.59D-07.
     30 vectors produced by pass  7 Test12= 6.13D-14 2.78D-09 XBig12= 2.25D-13 5.26D-08.
      1 vectors produced by pass  8 Test12= 6.13D-14 2.78D-09 XBig12= 1.01D-15 3.37D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 2.00D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 2.00D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.48D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.214003D+03 -0.181353D+01 -0.792954D+00
      2  -0.181353D+01  0.137306D+03 -0.689302D+01
      3  -0.792954D+00 -0.689302D+01  0.155783D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.404184D+01 -0.733981D+01  0.214935D+02
      2   0.101466D+02 -0.844421D+01  0.448394D+02
      3  -0.127275D+03 -0.331177D+02  0.124012D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.161577D+03  0.556600D+02 -0.323636D+01
      2  -0.892907D+02 -0.285610D+02  0.159950D+02
      3  -0.722863D+02 -0.270990D+02 -0.127586D+02
      4  -0.219784D+02  0.644700D+02 -0.258041D+02
      5  -0.638023D+01 -0.283784D+02  0.963281D+02
      6  -0.119981D+02  0.126862D+02 -0.255627D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.116437D+02  0.714900D+00  0.130164D+01 -0.231336D+01  0.170691D+01
      2   0.714900D+00  0.156873D+01 -0.789839D+00  0.170691D+01 -0.346965D+01
      3   0.130164D+01 -0.789839D+00  0.277422D+01  0.193899D+01  0.226413D+01
                 6             7             8             9            10 
      1   0.193899D+01  0.146701D+02  0.152875D+01 -0.106920D+01  0.342294D+02
      2   0.226413D+01  0.152875D+01 -0.794163D-01  0.148433D+01  0.161380D+01
      3   0.855897D+00 -0.106920D+01  0.148433D+01  0.875051D+00 -0.157588D+01
                11            12            13            14            15 
      1   0.161380D+01 -0.157588D+01 -0.589498D+00  0.443319D+01  0.112067D+01
      2   0.184782D+01 -0.715670D+00  0.443319D+01 -0.133262D+01 -0.137471D+00
      3  -0.715670D+00  0.287386D+01  0.112067D+01 -0.137471D+00 -0.663279D+00
                16            17            18            19            20 
      1  -0.355598D+01  0.874713D+00  0.140176D+01  0.155066D+02 -0.905482D+00
      2   0.874713D+00  0.315995D+00 -0.118138D+01 -0.905482D+00 -0.209911D+01
      3   0.140176D+01 -0.118138D+01 -0.659328D+00 -0.154482D+01  0.148089D+01
                21            22            23            24            25 
      1  -0.154482D+01 -0.427488D+01 -0.174076D+01 -0.259803D+00  0.128665D+02
      2   0.148089D+01 -0.174076D+01 -0.256351D+01  0.246052D+01 -0.222228D+01
      3  -0.157563D+01 -0.259803D+00  0.246052D+01  0.204399D+01  0.135471D+00
                26            27            28            29            30 
      1  -0.222228D+01  0.135471D+00 -0.327750D+02  0.122793D+01  0.112456D+01
      2   0.138293D+01  0.137226D+01  0.122793D+01 -0.174419D+01  0.166819D+00
      3   0.137226D+01  0.156212D+01  0.112456D+01  0.166819D+00 -0.278277D+01
                31            32            33            34            35 
      1   0.348359D+01 -0.523321D+01 -0.169053D+01  0.334618D+01 -0.148558D+01
      2  -0.523321D+01  0.843239D+00  0.456363D+00 -0.148558D+01 -0.915659D-01
      3  -0.169053D+01  0.456363D+00 -0.312128D-01 -0.723295D+00 -0.866128D+00
                36            37            38            39            40 
      1  -0.723295D+00  0.113896D+02 -0.990906D+00 -0.817442D+00  0.472127D+01
      2  -0.866128D+00 -0.990906D+00 -0.779993D+00 -0.354933D+00 -0.197585D+01
      3   0.431501D+00 -0.817442D+00 -0.354933D+00 -0.290550D+01 -0.115253D+01
                41            42            43            44            45 
      1  -0.197585D+01 -0.115253D+01 -0.149718D+02  0.463495D+00  0.770771D+00
      2   0.236747D+01 -0.224446D+01  0.463495D+00 -0.105639D+01 -0.940233D+00
      3  -0.224446D+01 -0.117726D+01  0.770771D+00 -0.940233D+00 -0.128404D+01
                46            47            48            49            50 
      1  -0.138763D+02  0.912929D+00  0.871626D+00  0.610167D+01  0.226038D+01
      2   0.912929D+00  0.797613D+00 -0.672051D-01  0.226038D+01  0.179375D+01
      3   0.871626D+00 -0.672051D-01  0.156083D+01 -0.413234D+00 -0.288740D+01
                51            52            53            54            55 
      1  -0.413234D+00 -0.112955D+02  0.571299D+00 -0.370061D+00 -0.173213D+02
      2  -0.288740D+01  0.571299D+00 -0.144244D+01 -0.899642D+00 -0.298532D+01
      3  -0.227524D+01 -0.370061D+00 -0.899642D+00 -0.149518D+01 -0.268978D+00
                56            57            58            59            60 
      1  -0.298532D+01 -0.268978D+00 -0.802583D+01 -0.745253D+01 -0.338558D+00
      2  -0.390767D+01  0.110365D-01 -0.745253D+01  0.289477D+00 -0.197997D+01
      3   0.110365D-01 -0.167960D+01 -0.338558D+00 -0.197997D+01  0.202635D+01
                61            62            63            64            65 
      1  -0.166658D+01 -0.606368D+00 -0.335513D+01 -0.405050D+01  0.447168D+01
      2  -0.606368D+00 -0.259143D+01  0.310820D+01  0.447168D+01  0.301618D+01
      3  -0.335513D+01  0.310820D+01  0.462009D+01  0.229621D+01 -0.260241D+00
                66            67            68            69            70 
      1   0.229621D+01  0.148380D+02  0.549479D+01 -0.689293D-01  0.570634D+01
      2  -0.260241D+00  0.549479D+01  0.199867D+01  0.320204D+01  0.760758D+00
      3   0.767743D+00 -0.689293D-01  0.320204D+01 -0.278429D+01  0.246719D+00
                71            72            73            74            75 
      1   0.760758D+00  0.246719D+00  0.279667D+01 -0.341890D+01 -0.241611D+01
      2   0.330721D+01 -0.253411D+01 -0.341890D+01 -0.341658D+01 -0.980547D-01
      3  -0.253411D+01 -0.411579D+01 -0.241611D+01 -0.980547D-01 -0.153813D+01
                76            77            78            79            80 
      1  -0.538801D+01 -0.458857D+01 -0.130218D+00 -0.282675D+01  0.177839D+00
      2  -0.458857D+01 -0.144248D+01 -0.436394D+01  0.177839D+00 -0.315796D+01
      3  -0.130218D+00 -0.436394D+01  0.292335D+01 -0.464336D+00  0.257059D+01
                81            82            83            84            85 
      1  -0.464336D+00  0.317391D+01 -0.386737D+01 -0.130950D+01 -0.571690D+01
      2   0.257059D+01 -0.386737D+01 -0.376101D+01  0.313270D+00 -0.391792D+01
      3   0.218187D+01 -0.130950D+01  0.313270D+00 -0.100600D+01 -0.173821D+00
                86            87            88            89            90 
      1  -0.391792D+01 -0.173821D+00 -0.204717D+01 -0.901596D+00 -0.723592D+00
      2  -0.289171D+01 -0.233119D+01 -0.901596D+00 -0.315486D+01  0.202244D+01
      3  -0.233119D+01  0.304199D+01 -0.723592D+00  0.202244D+01  0.607746D+01
                91            92            93            94            95 
      1   0.766868D+01  0.184938D+01  0.190928D+01 -0.449079D+01  0.658099D+01
      2   0.184938D+01  0.177944D+01  0.333942D+00  0.658099D+01 -0.414917D+01
      3   0.190928D+01  0.333942D+00  0.160164D+01  0.165664D+01  0.538811D+00
                96            97            98            99           100 
      1   0.165664D+01  0.314693D+01  0.223450D+01  0.255054D+01  0.135593D+01
      2   0.538811D+00  0.223450D+01  0.556354D+00  0.267784D+01 -0.155081D+01
      3   0.216075D+01  0.255054D+01  0.267784D+01 -0.336982D+01 -0.165659D+01
               101           102           103           104           105 
      1  -0.155081D+01 -0.165659D+01 -0.133054D+01 -0.711037D+00  0.142023D+01
      2   0.161354D+00  0.854347D+00 -0.711037D+00  0.300505D+01 -0.190334D+01
      3   0.854347D+00  0.566022D+00  0.142023D+01 -0.190334D+01 -0.336802D+01
               106           107           108           109           110 
      1  -0.498237D+01  0.240256D+01  0.134880D+01 -0.264260D+01  0.187811D+01
      2   0.240256D+01 -0.464938D+01 -0.354792D+01  0.187811D+01 -0.921069D+00
      3   0.134880D+01 -0.354792D+01 -0.210119D+01  0.323857D+01 -0.759974D+00
               111           112           113           114           115 
      1   0.323857D+01  0.420822D+01 -0.319458D+01 -0.188265D+01  0.825881D+01
      2  -0.759974D+00 -0.319458D+01  0.494511D+01  0.395537D+01 -0.371031D+01
      3  -0.135666D+01 -0.188265D+01  0.395537D+01  0.362203D+01 -0.347698D+01
               116           117           118           119           120 
      1  -0.371031D+01 -0.347698D+01 -0.165244D+00 -0.223626D+00 -0.135242D+01
      2   0.546827D+01  0.430512D+01 -0.223626D+00  0.178874D+01 -0.232268D+00
      3   0.430512D+01  0.892015D+01 -0.135242D+01 -0.232268D+00 -0.168014D+00
               121           122           123           124           125 
      1  -0.667530D+00  0.298236D+01 -0.609404D+00 -0.463161D+01  0.971522D+00
      2   0.298236D+01 -0.730290D+01  0.105038D+00  0.971522D+00 -0.112943D+01
      3  -0.609404D+00  0.105038D+00 -0.885004D-01 -0.101524D+01  0.143182D+01
               126           127           128           129           130 
      1  -0.101524D+01  0.336893D+01 -0.102407D+01  0.247936D+01 -0.200629D+01
      2   0.143182D+01 -0.102407D+01  0.909684D+00 -0.103816D+01  0.730711D+00
      3  -0.402729D+01  0.247936D+01 -0.103816D+01  0.218442D+01 -0.129904D+01
               131           132           133           134           135 
      1   0.730711D+00 -0.129904D+01  0.251884D+01 -0.121330D+01  0.290579D+01
      2  -0.900055D+00  0.910884D+00 -0.121330D+01  0.167640D+01 -0.211797D+01
      3   0.910884D+00 -0.200876D+01  0.290579D+01 -0.211797D+01  0.500459D+01
               136           137           138           139           140 
      1  -0.201025D+01 -0.665456D+00  0.203175D+01 -0.363752D+00 -0.216379D+00
      2  -0.665456D+00 -0.344729D+00  0.645455D+00 -0.216379D+00 -0.586874D+00
      3   0.203175D+01  0.645455D+00 -0.222059D+01  0.659912D+00  0.821829D+00
               141           142           143           144           145 
      1   0.659912D+00  0.201529D+01  0.965156D+00 -0.264083D+01 -0.355840D+01
      2   0.821829D+00  0.965156D+00  0.159188D+01 -0.236180D+01  0.918784D+00
      3  -0.218485D+01 -0.264083D+01 -0.236180D+01  0.732916D+01 -0.203196D+01
               146           147           148           149           150 
      1   0.918784D+00 -0.203196D+01  0.152948D+01 -0.585541D+00  0.113977D+01
      2  -0.658746D+00  0.590896D+00 -0.585541D+00  0.612183D+00 -0.580552D+00
      3   0.590896D+00 -0.183914D+01  0.113977D+01 -0.580552D+00  0.183884D+01
               151           152           153           154           155 
      1  -0.245543D+01  0.871792D+00 -0.266070D+01  0.198744D+01  0.626530D+00
      2   0.871792D+00 -0.109677D+01  0.141380D+01  0.626530D+00  0.262812D+00
      3  -0.266070D+01  0.141380D+01 -0.482514D+01 -0.196434D+01 -0.316009D+00
               156           157           158           159           160 
      1  -0.196434D+01  0.979483D-01  0.159485D+00 -0.559125D+00 -0.236423D+01
      2  -0.316009D+00  0.159485D+00  0.284535D+00 -0.536106D+00 -0.845904D+00
      3   0.203775D+01 -0.559125D+00 -0.536106D+00  0.189861D+01  0.278855D+01
               161           162           163           164           165 
      1  -0.845904D+00  0.278855D+01  0.193533D+01 -0.447843D+00 -0.174070D+01
      2  -0.108624D+01  0.140881D+01 -0.447843D+00  0.968261D+00  0.497118D+00
      3   0.140881D+01 -0.724225D+01 -0.174070D+01  0.497118D+00  0.140950D+01
               166           167           168           169           170 
      1   0.126122D+01  0.160410D+01  0.547398D+00 -0.503725D+01  0.818300D+00
      2   0.160410D+01 -0.123749D+01 -0.131379D+01  0.818300D+00 -0.193604D+01
      3   0.547398D+00 -0.131379D+01 -0.142748D+01  0.310720D+01 -0.262001D+01
               171           172           173           174           175 
      1   0.310720D+01  0.364550D+01 -0.186098D+01  0.112196D+01 -0.260431D+01
      2  -0.262001D+01 -0.186098D+01  0.235336D+01 -0.424685D+00  0.330574D+01
      3  -0.653841D+01  0.112196D+01 -0.424685D+00  0.724352D+00 -0.632415D+00
               176           177           178           179           180 
      1   0.330574D+01 -0.632415D+00  0.492945D+01 -0.100259D+01  0.128289D+01
      2  -0.544866D+01  0.151789D+01 -0.100259D+01  0.282383D+01 -0.167102D+01
      3   0.151789D+01 -0.116224D+01  0.128289D+01 -0.167102D+01  0.104934D+01
               181           182           183           184           185 
      1   0.137974D+02 -0.149973D+01 -0.158726D+01 -0.365283D+01  0.111717D+01
      2  -0.149973D+01  0.121147D+01  0.203138D+00  0.111717D+01 -0.107316D+01
      3  -0.158726D+01  0.203138D+00  0.142509D+01  0.135755D+00 -0.667268D+00
               186           187           188           189           190 
      1   0.135755D+00 -0.236059D+01 -0.248846D-01  0.196868D+01 -0.656328D+01
      2  -0.667268D+00 -0.248846D-01 -0.745864D+00  0.117405D+00  0.419521D+00
      3  -0.598967D-01  0.196868D+01  0.117405D+00 -0.266168D+00  0.666030D+00
               191           192           193           194           195 
      1   0.419521D+00  0.666030D+00  0.757681D+00 -0.562654D+00 -0.534990D+00
      2  -0.127420D+01 -0.796979D+00 -0.562654D+00  0.953057D+00  0.868160D+00
      3  -0.796979D+00 -0.194522D+01 -0.534990D+00  0.868160D+00  0.402849D+00
               196           197           198           199           200 
      1   0.912054D+00 -0.302411D+00 -0.793076D+00  0.418438D+01  0.313776D+01
      2  -0.302411D+00  0.641850D+00  0.146095D+00  0.313776D+01  0.294851D+01
      3  -0.793076D+00  0.146095D+00  0.107067D+01  0.216892D+01  0.127908D+01
               201           202           203           204           205 
      1   0.216892D+01  0.389175D+01  0.393387D+01  0.191867D+01  0.113712D+01
      2   0.127908D+01  0.393387D+01  0.529901D+01  0.266238D+01  0.885166D+00
      3   0.184935D+01  0.191867D+01  0.266238D+01  0.207979D+01  0.152312D+01
               206           207           208           209           210 
      1   0.885166D+00  0.152312D+01  0.130482D+01 -0.674503D+00  0.161162D+01
      2   0.133643D+01  0.119557D+01 -0.674503D+00  0.127624D+01 -0.656135D+00
      3   0.119557D+01  0.128275D+01  0.161162D+01 -0.656135D+00  0.159045D+01
               211           212           213           214           215 
      1  -0.141610D+01  0.129093D+01 -0.127387D+01  0.159193D+01 -0.677829D+00
      2   0.129093D+01 -0.326955D+01  0.259990D+01 -0.677829D+00  0.207607D+01
      3  -0.127387D+01  0.259990D+01 -0.364851D+01  0.159857D+01 -0.217652D+01
               216           217           218           219           220 
      1   0.159857D+01  0.366882D+00  0.381328D+00 -0.115734D+01 -0.426551D-01
      2  -0.217652D+01  0.381328D+00  0.592995D+00 -0.882188D-01  0.366690D+00
      3   0.410079D+01 -0.115734D+01 -0.882188D-01  0.109445D+01  0.840811D-01
               221           222           223           224           225 
      1   0.366690D+00  0.840811D-01 -0.151263D+01 -0.299434D+00  0.138989D+01
      2  -0.142742D+00 -0.684628D+00 -0.299434D+00 -0.127029D+01  0.286091D+00
      3  -0.684628D+00 -0.132464D+01  0.138989D+01  0.286091D+00 -0.892867D+01
               226           227           228           229           230 
      1   0.371854D+01  0.369659D+01 -0.810401D-01  0.347775D+01  0.442818D+01
      2   0.369659D+01  0.410575D+01 -0.271695D+00  0.442818D+01  0.751570D+01
      3  -0.810401D-01 -0.271695D+00  0.967006D+00 -0.192752D+00 -0.132635D+00
               231           232           233           234           235 
      1  -0.192752D+00  0.999777D+00  0.746858D+00  0.827385D+00 -0.662961D+01
      2  -0.132635D+00  0.746858D+00  0.156398D+01  0.674682D+00  0.639431D+00
      3   0.706360D+00  0.827385D+00  0.674682D+00 -0.171482D+00  0.609319D+00
               236           237           238           239           240 
      1   0.639431D+00  0.609319D+00  0.973971D+00 -0.105154D+01  0.171754D+00
      2  -0.220651D+01  0.385296D+00 -0.105154D+01  0.154378D+01  0.135611D+00
      3   0.385296D+00 -0.107021D+01  0.171754D+00  0.135611D+00  0.137383D+00
               241           242           243           244           245 
      1   0.856549D+00 -0.208718D-01 -0.492124D+00 -0.186009D-01 -0.874696D+00
      2  -0.208718D-01  0.671227D+00  0.114725D+00 -0.874696D+00 -0.649707D+00
      3  -0.492124D+00  0.114725D+00 -0.401724D+00  0.123810D+01  0.234162D+00
               246           247           248           249           250 
      1   0.123810D+01 -0.125685D+01 -0.114544D+01  0.387925D+00  0.259223D+01
      2   0.234162D+00 -0.114544D+01 -0.861965D+00  0.114041D+01  0.427100D+00
      3  -0.114345D+01  0.387925D+00  0.114041D+01 -0.153175D+01 -0.185642D+01
               251           252           253           254           255 
      1   0.427100D+00 -0.185642D+01  0.802787D+01 -0.119744D+01 -0.206567D+01
      2   0.152006D+01 -0.136544D+01 -0.119744D+01 -0.318844D+01 -0.103011D+01
      3  -0.136544D+01  0.529011D+01 -0.206567D+01 -0.103011D+01 -0.154522D+01
               256           257           258           259           260 
      1  -0.473793D+01 -0.268945D+01 -0.137213D+01 -0.724717D+01 -0.172129D+01
      2  -0.268945D+01  0.546852D+01 -0.284490D+00 -0.172129D+01 -0.175941D+01
      3  -0.137213D+01 -0.284490D+00 -0.231537D+01 -0.211004D+01 -0.237183D+01
               261           262           263           264           265 
      1  -0.211004D+01 -0.115596D+01  0.156435D+01 -0.671565D+00  0.254876D+01
      2  -0.237183D+01  0.156435D+01 -0.173635D+01  0.489498D+00 -0.375556D+01
      3   0.286244D+01 -0.671565D+00  0.489498D+00 -0.468367D+00  0.101129D+01
               266           267           268           269           270 
      1  -0.375556D+01  0.101129D+01 -0.562664D-01 -0.236438D+00 -0.369477D+00
      2   0.952280D+01 -0.207171D+01 -0.236438D+00  0.411906D+00  0.676707D+00
      3  -0.207171D+01  0.172646D+01 -0.369477D+00  0.676707D+00 -0.830456D+00
               271           272           273           274           275 
      1  -0.394108D+00  0.436574D+00 -0.475671D+00  0.141846D+01  0.243148D+00
      2   0.436574D+00  0.509590D+00  0.212417D+00  0.243148D+00  0.236061D+00
      3  -0.475671D+00  0.212417D+00  0.403564D+00  0.371977D+00 -0.655167D+00
               276           277           278           279           280 
      1   0.371977D+00 -0.179687D+01 -0.201993D+00 -0.741103D+00 -0.155442D+02
      2  -0.655167D+00 -0.201993D+00 -0.119373D+01  0.314699D+00 -0.154269D+01
      3   0.125624D+01 -0.741103D+00  0.314699D+00 -0.607746D+01 -0.194584D+00
               281           282           283           284           285 
      1  -0.154269D+01 -0.194584D+00  0.118138D+01 -0.118495D+01  0.163259D+00
      2  -0.125951D+01 -0.158140D+00 -0.118495D+01 -0.542622D+00  0.108894D+00
      3  -0.158140D+00 -0.100734D+01  0.163259D+00  0.108894D+00  0.366989D+00
               286           287           288           289           290 
      1   0.226182D+01  0.465963D+00 -0.107473D+01 -0.108798D+00 -0.759779D+00
      2   0.465963D+00  0.542987D+00  0.123567D+00 -0.759779D+00  0.184925D+01
      3  -0.107473D+01  0.123567D+00  0.598466D-01  0.242949D+00  0.360950D+00
               291           292           293           294           295 
      1   0.242949D+00 -0.161313D+01 -0.632701D+00 -0.144305D+00  0.998266D+00
      2   0.360950D+00 -0.632701D+00 -0.946324D+01 -0.974128D+00  0.307322D+00
      3   0.421582D+00 -0.144305D+00 -0.974128D+00 -0.103658D+01  0.901751D-01
               296           297 
      1   0.307322D+00  0.901751D-01
      2   0.553865D+00 -0.790757D+00
      3  -0.790757D+00 -0.383530D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.202612D+01  0.921122D+00  0.357999D+01  0.974882D+01  0.177340D+01
      2  -0.180501D+01 -0.198458D+01  0.403908D+01 -0.415378D+01 -0.182103D+01
      3   0.192451D+02 -0.158372D+01 -0.171284D+01  0.140716D+02  0.119896D+01
                 6             7             8             9            10 
      1  -0.215378D+01  0.250520D+01  0.340705D+01 -0.568518D-01 -0.317994D+01
      2   0.907449D+00 -0.285278D+01  0.843874D+00 -0.926965D+00 -0.199887D+00
      3  -0.539237D+01 -0.161980D+02 -0.236525D+01 -0.943075D+00 -0.446094D+02
                11            12            13            14            15 
      1  -0.658013D+00  0.147776D+01  0.232044D+01  0.418486D+01 -0.949309D+01
      2   0.997447D+00 -0.284660D+01  0.569120D+01 -0.602557D-01 -0.715776D-01
      3  -0.174029D+01  0.142297D+01  0.108577D+02 -0.225912D+01 -0.606966D+00
                16            17            18            19            20 
      1  -0.399807D+01 -0.207630D+01 -0.375284D+01 -0.258922D+01 -0.438792D+00
      2  -0.258862D+02 -0.181632D+01 -0.347874D+01  0.530265D+00 -0.276502D+01
      3  -0.318388D+00 -0.514639D+00 -0.121059D+01 -0.200265D+02 -0.158604D+00
                21            22            23            24            25 
      1  -0.192039D+01 -0.508097D+01  0.225365D+01  0.932197D+00 -0.108569D+01
      2   0.775877D+01 -0.403967D+01  0.191438D+01 -0.197983D+01 -0.597122D+01
      3   0.331593D+01  0.162747D+02 -0.393761D+00  0.271078D+01 -0.143596D+02
                26            27            28            29            30 
      1   0.323660D+01  0.205943D+01  0.197221D+00  0.204985D+01 -0.276961D+01
      2  -0.970435D+00  0.146852D+01  0.442296D+01  0.909489D+00 -0.380447D+01
      3   0.479124D+01  0.214245D+01  0.410046D+02 -0.183688D+01 -0.307492D+01
                31            32            33            34            35 
      1  -0.733482D+00  0.364325D+01 -0.966260D+01 -0.585632D+01 -0.880935D+00
      2   0.548506D+01 -0.145685D+00  0.248184D+01 -0.291045D+02  0.530560D+01
      3   0.684148D+01  0.561551D+01  0.131262D+01 -0.913435D+01 -0.127787D+01
                36            37            38            39            40 
      1  -0.264490D+01  0.149920D+00  0.119845D+01 -0.182490D+01  0.583682D+01
      2   0.193192D+01 -0.687225D+01 -0.112068D+01  0.433421D+01 -0.436788D+01
      3   0.219311D+01 -0.171941D+02 -0.149233D+00  0.329380D+01  0.629848D+01
                41            42            43            44            45 
      1  -0.224714D+01 -0.324478D+01  0.448059D+01  0.129477D+01 -0.184782D+01
      2  -0.257416D+01  0.106139D+01  0.670565D+00 -0.186113D+00 -0.278374D+01
      3   0.192247D+01 -0.266800D+01  0.239088D+02 -0.226662D+01 -0.489387D+01
                46            47            48            49            50 
      1   0.176923D+01 -0.214066D+01  0.146365D+01 -0.818658D+01 -0.251065D+01
      2   0.549145D+01 -0.283523D+01  0.938620D+01 -0.318241D+01  0.267006D+01
      3   0.244766D+02 -0.277552D+01  0.283611D+01  0.641941D+01 -0.195873D+01
                51            52            53            54            55 
      1  -0.220138D+01 -0.109978D+01  0.204479D+01 -0.212380D+00  0.176549D+01
      2  -0.352550D+01 -0.331013D+01 -0.123800D+01  0.297179D+01 -0.712118D+01
      3   0.278205D+01  0.177512D+02  0.136347D+00  0.258883D+01  0.298142D+02
                56            57            58            59            60 
      1   0.148484D+01 -0.222671D+00  0.389914D+01 -0.309761D+01  0.292868D+01
      2  -0.651165D+00 -0.323424D+01 -0.407425D+01 -0.120061D+02  0.921508D+01
      3   0.133556D+02 -0.212309D+00  0.442276D+02  0.103337D+02  0.813927D+01
                61            62            63            64            65 
      1  -0.396633D+00  0.800946D+01  0.413734D+01 -0.177296D+01  0.552362D-01
      2  -0.212615D+02  0.105359D+02  0.156683D+02  0.116485D+02 -0.238880D+00
      3   0.389054D+01  0.107117D+02 -0.586115D+01 -0.304528D+02 -0.163483D+02
                66            67            68            69            70 
      1  -0.908979D+00 -0.315925D+01 -0.230818D+01 -0.255959D+01  0.281053D+01
      2   0.668098D+01  0.484025D+01  0.154196D+02 -0.128451D+02 -0.980593D+00
      3   0.172993D+01 -0.312948D+02 -0.104263D+02 -0.132056D+02 -0.662690D+01
                71            72            73            74            75 
      1   0.560598D+01  0.195821D+01 -0.183443D+01 -0.637844D+01  0.964407D+00
      2  -0.109059D+02 -0.170410D+02 -0.183074D+02  0.516996D+01  0.241879D+01
      3  -0.144883D+02  0.854326D+01  0.185716D+02  0.948652D+01 -0.253209D+01
                76            77            78            79            80 
      1  -0.941282D+01  0.115527D+01 -0.145392D+02  0.749691D+00 -0.718710D+01
      2   0.651301D+01 -0.105572D+02  0.125291D+02  0.248782D+01  0.106971D+02
      3   0.182738D+02  0.291402D+01  0.167649D+02 -0.280201D+01  0.124464D+02
                81            82            83            84            85 
      1   0.360178D+01  0.574794D+01  0.408985D+01  0.177951D+01  0.604092D+01
      2   0.110670D+02  0.905127D+00 -0.371897D+01 -0.274040D+01 -0.698228D+01
      3  -0.104927D+02  0.256837D+02  0.444500D+01 -0.213187D+01  0.862242D+01
                86            87            88            89            90 
      1   0.930055D+01 -0.540396D+01  0.338281D+01  0.253740D+01 -0.162347D+02
      2  -0.136143D+02  0.118849D+02 -0.598894D+01  0.771501D+01  0.207062D+02
      3   0.303159D+01  0.964567D+01  0.115871D+01  0.113582D+02 -0.804503D+01
                91            92            93            94            95 
      1   0.145869D+01 -0.128118D+01  0.153790D+01  0.888718D+00 -0.194103D+01
      2  -0.122856D+02  0.549296D+00 -0.134280D+01 -0.182043D+00 -0.485471D+01
      3  -0.749789D+01  0.268053D+00 -0.737915D+00  0.385466D+02 -0.194222D+02
                96            97            98            99           100 
      1  -0.212585D+01  0.111987D+01  0.559806D+01 -0.186000D+00  0.187174D+01
      2  -0.975877D+01 -0.175532D+02 -0.943836D+01  0.117623D+02  0.519283D+01
      3  -0.154922D+01  0.237632D+01 -0.118688D+01  0.645659D+01  0.151673D+02
               101           102           103           104           105 
      1   0.155143D+01 -0.385523D+01  0.821606D+00 -0.167051D+01  0.236517D+01
      2  -0.366179D+01  0.766435D+01 -0.140704D+01  0.590291D+01  0.182044D+02
      3  -0.155861D+02  0.176878D+01 -0.611614D+01  0.197596D+01 -0.465843D+01
               106           107           108           109           110 
      1  -0.316042D+01 -0.272901D+01  0.474078D+01 -0.388404D+01 -0.211357D+01
      2  -0.167048D+01  0.135533D+02  0.850687D+01 -0.772216D+01  0.201906D+01
      3   0.145420D+02 -0.157619D+02 -0.105672D+02 -0.911706D+00 -0.412783D+00
               111           112           113           114           115 
      1   0.222937D+01 -0.226814D+01  0.456949D+01 -0.695164D+01  0.357601D+00
      2   0.421248D+01 -0.235605D+01 -0.104464D+02 -0.143718D+02  0.159178D+01
      3  -0.231296D-01 -0.655796D+01  0.198068D+02  0.125615D+02 -0.164821D+02
               116           117           118           119           120 
      1   0.747108D+01 -0.104059D+02  0.291710D+01  0.185080D-01  0.484398D+00
      2  -0.125121D+02 -0.303337D+02  0.379082D+01  0.624123D+00  0.196582D+01
      3   0.199955D+02  0.130964D+02 -0.411747D+01  0.467605D+01 -0.280166D+01
               121           122           123           124           125 
      1   0.209337D+00  0.333275D+01 -0.123677D+01 -0.126488D+01  0.676532D+01
      2   0.273968D+01  0.123034D+01 -0.843295D+00 -0.679596D+00 -0.413466D+01
      3   0.849712D+01 -0.210975D+02 -0.544697D+00  0.333469D+01 -0.478415D+01
               126           127           128           129           130 
      1   0.742219D+01  0.308718D+01  0.120706D+01  0.279043D+01 -0.201811D+01
      2   0.147423D+02 -0.460994D+01  0.855110D-02 -0.312839D+00  0.156902D+01
      3   0.524713D+01 -0.532483D+01 -0.985924D+00 -0.262549D+01  0.409046D+01
               131           132           133           134           135 
      1   0.224057D+00 -0.360576D+01  0.309109D+01  0.113099D+01  0.517385D+01
      2   0.263937D+00 -0.108931D+01 -0.242667D+01 -0.483127D+00  0.213709D+01
      3   0.589540D+00  0.794101D+00 -0.326181D+01 -0.142723D+01 -0.192982D+01
               136           137           138           139           140 
      1   0.206637D+01 -0.877240D+00 -0.252422D+01  0.103075D+01  0.785733D-01
      2   0.427170D+01  0.465282D+00 -0.117027D+01  0.592601D+00 -0.135322D+00
      3   0.281815D+01  0.848471D-01 -0.215945D+01  0.146768D+01 -0.254141D+00
               141           142           143           144           145 
      1  -0.352017D+01 -0.204367D+01  0.191860D+01  0.636756D+01 -0.230850D+01
      2   0.508854D+00 -0.440212D+01 -0.524637D+00 -0.532847D+00 -0.796156D+01
      3  -0.654010D+00 -0.264560D+01  0.767651D+00  0.227254D+01  0.414388D+00
               146           147           148           149           150 
      1   0.300497D+01 -0.954912D+00  0.122097D+01 -0.136129D+01 -0.453943D+00
      2   0.147381D+01 -0.162147D+01  0.202363D+01 -0.516185D+00  0.354812D+00
      3  -0.137147D+01  0.722103D+00  0.450615D+00  0.127240D+01 -0.191517D+00
               151           152           153           154           155 
      1  -0.212680D+01  0.414796D+01 -0.317293D+01 -0.251031D+01 -0.210589D+01
      2  -0.472036D+01  0.622965D+00  0.244149D+00  0.469719D+01  0.122982D+01
      3   0.640132D+00 -0.227546D+01  0.164991D+01 -0.669667D+00 -0.101225D+01
               156           157           158           159           160 
      1   0.130828D+01 -0.398251D+00 -0.120494D+01 -0.682705D-01  0.351385D+01
      2  -0.125992D+01  0.241723D+00 -0.349713D-01  0.372110D+00 -0.504518D+01
      3   0.997388D+00  0.893162D+00 -0.392381D+00  0.304611D+00  0.146586D+01
               161           162           163           164           165 
      1   0.531804D+01 -0.568916D+01 -0.126742D+01 -0.476629D+00  0.142994D+01
      2  -0.617992D+00 -0.205548D+01 -0.610773D+01  0.913412D+00  0.557044D+01
      3   0.223320D+01 -0.195952D+01 -0.147513D+01 -0.408863D+01  0.729890D+00
               166           167           168           169           170 
      1  -0.166704D+00 -0.145573D+00 -0.216810D+01  0.262746D+01  0.874982D+00
      2   0.199654D+01 -0.341302D+01 -0.506115D+01  0.577141D+01 -0.917114D+01
      3  -0.558430D+01  0.226590D+01  0.311228D+01  0.372720D+01  0.577582D+01
               171           172           173           174           175 
      1  -0.698691D+01  0.166255D+01 -0.132594D+01  0.178856D+01 -0.235630D+01
      2  -0.220079D+02  0.685743D+01 -0.256010D+01  0.488170D+01 -0.322165D+01
      3   0.427859D+01  0.210723D+01 -0.708964D+01  0.190624D+00 -0.591480D+01
               176           177           178           179           180 
      1   0.380270D+01 -0.465109D+01  0.176368D+01 -0.213557D+01  0.304108D+01
      2   0.764599D+01 -0.563614D+01  0.458152D+01 -0.687285D+01  0.447409D+01
      3   0.147887D+02 -0.413353D+01 -0.320347D+01 -0.901092D+01  0.390018D+01
               181           182           183           184           185 
      1   0.287553D+00 -0.517059D+00 -0.268579D+00  0.142387D+00  0.466252D+00
      2  -0.355146D+01  0.570150D+00  0.912322D+01 -0.478489D+00 -0.310300D+01
      3   0.564600D+01 -0.868927D+01 -0.842899D+00 -0.135686D+01  0.500455D+01
               186           187           188           189           190 
      1  -0.993276D+00 -0.491120D+00  0.963812D+00 -0.153327D+00 -0.184159D+01
      2   0.127456D+00  0.615594D+01  0.640231D+00 -0.497764D+00  0.202042D+02
      3   0.326902D+01  0.789004D+00  0.401128D+01 -0.926524D+00 -0.102521D+02
               191           192           193           194           195 
      1  -0.265322D+01  0.125522D+01 -0.124151D+01  0.350675D+00  0.398309D-01
      2  -0.335362D+01 -0.764107D+01 -0.276438D+01  0.503322D+01  0.201605D+01
      3   0.337378D+01  0.393657D+01  0.413775D+01 -0.336957D+01 -0.351894D+01
               196           197           198           199           200 
      1   0.118221D+01  0.206173D+01 -0.291611D+00  0.348011D+01  0.513527D+01
      2  -0.816393D+01  0.953563D+00  0.495922D+01  0.233266D+01  0.260738D+00
      3   0.219610D+01 -0.206875D+01 -0.156251D+01 -0.927154D+01 -0.114127D+02
               201           202           203           204           205 
      1  -0.531026D+00  0.580877D+01  0.772038D+01  0.267329D+00  0.986799D+00
      2   0.606176D+01 -0.272868D-02  0.490916D+01  0.692272D+01  0.248539D+01
      3  -0.359443D+01 -0.106485D+02 -0.197530D+02 -0.945721D+01 -0.161985D+01
               206           207           208           209           210 
      1   0.281277D+01  0.688751D+00 -0.255619D+01  0.320243D+01 -0.203535D+01
      2   0.289754D+01  0.315992D+01  0.555199D+01 -0.131068D+01  0.486012D+01
      3  -0.515464D+01 -0.378897D+01  0.245876D+01 -0.593452D+01  0.319583D+01
               211           212           213           214           215 
      1   0.283388D+01 -0.975389D+01  0.564457D+01 -0.227603D+01  0.796992D+01
      2  -0.126402D+01  0.890655D+01 -0.138441D+02  0.143018D+01 -0.806609D+01
      3  -0.331057D+01  0.141945D+02 -0.101144D+02  0.259337D+01 -0.868239D+01
               216           217           218           219           220 
      1  -0.624878D+01  0.163916D+01 -0.621222D+00 -0.164677D+01 -0.280120D+00
      2   0.141510D+02 -0.478929D+01 -0.319061D+00  0.327105D+01 -0.573447D+00
      3   0.886380D+01 -0.236675D+01 -0.253047D+01 -0.103811D+01 -0.403337D+00
               221           222           223           224           225 
      1   0.200022D+01  0.237921D+01 -0.160976D+01  0.488718D+01  0.161946D+02
      2  -0.210079D+01 -0.522152D+01 -0.310109D+00  0.298347D+00 -0.314207D+02
      3   0.157296D+01  0.203873D+01 -0.117795D+01  0.457771D+01 -0.103728D+01
               226           227           228           229           230 
      1  -0.425382D+01 -0.455161D+01 -0.308587D+01 -0.567001D+01 -0.871446D+01
      2   0.349997D+01  0.250777D+01  0.534041D+01  0.353763D+01  0.392786D+01
      3  -0.759002D+01 -0.112652D+02  0.133913D+01 -0.697889D+01 -0.222149D+02
               231           232           233           234           235 
      1  -0.382837D+01 -0.231929D+01 -0.175827D+01 -0.867954D+00 -0.604405D+00
      2   0.358873D+01  0.350038D+01  0.282774D+01  0.235397D+00 -0.826827D+01
      3   0.367445D+00 -0.940594D+00 -0.535296D+01 -0.128051D+01 -0.215020D+02
               236           237           238           239           240 
      1   0.201934D+01  0.252317D+01  0.102241D+01 -0.160439D+01 -0.961861D+00
      2   0.208409D+01 -0.121954D+01  0.199350D+01 -0.102380D+01 -0.373854D+00
      3   0.700798D+01 -0.197912D+00  0.706073D+01 -0.676063D+01 -0.547173D+00
               241           242           243           244           245 
      1   0.172839D+01  0.592162D+00  0.158908D+00  0.135556D-02 -0.374305D+00
      2  -0.309857D+01 -0.223149D+00 -0.190615D+01 -0.499775D+01 -0.448933D+00
      3   0.117405D+01 -0.256717D+01 -0.151216D+01 -0.310648D+01 -0.207012D+01
               246           247           248           249           250 
      1  -0.640539D+00 -0.155852D+00  0.273393D+00 -0.166197D+01 -0.530134D+00
      2   0.378111D+01 -0.694450D-01 -0.282010D+01  0.524830D+01  0.113399D+01
      3   0.534115D-01 -0.824893D+00 -0.189582D+01  0.295023D+01 -0.796904D+00
               251           252           253           254           255 
      1   0.216265D+01  0.253409D+01 -0.165669D+01  0.735655D+00 -0.226369D+01
      2   0.430738D+01 -0.164312D+02  0.191665D+02  0.444693D+01  0.818675D+01
      3   0.436288D+01 -0.309699D+01 -0.168245D+02 -0.117768D+02 -0.479454D+00
               256           257           258           259           260 
      1  -0.139325D+01 -0.588508D+01 -0.568822D+01 -0.100964D+01 -0.864661D+00
      2   0.411815D+01 -0.480965D+00  0.813851D+01  0.561999D+01  0.908343D+01
      3  -0.258597D+01  0.249157D+02  0.152308D+01  0.167081D+01 -0.201171D+01
               261           262           263           264           265 
      1   0.792279D+01  0.574140D-01  0.393783D+00  0.890013D+00  0.465107D+00
      2  -0.158344D+02  0.140620D+01 -0.966934D+00  0.159477D+01 -0.204678D+01
      3  -0.643268D+01  0.311863D+01 -0.381625D+01  0.149383D+01 -0.769895D+01
               266           267           268           269           270 
      1  -0.326513D+01 -0.369249D+01 -0.441307D+00  0.553991D+00 -0.297650D+00
      2   0.569570D+01 -0.600936D+01  0.467925D+00 -0.167688D+01  0.225626D+01
      3   0.299469D+02 -0.642798D+01 -0.553831D+00  0.151583D+01  0.206048D+01
               271           272           273           274           275 
      1  -0.180734D+01 -0.722145D+00  0.405487D+00 -0.722586D-01 -0.249290D+01
      2   0.456760D+01  0.195806D+00 -0.220785D+01  0.125503D+01  0.329911D+01
      3   0.222677D+01  0.914891D+00  0.942837D+00  0.511684D+00  0.899072D+00
               276           277           278           279           280 
      1   0.198531D+01 -0.291716D+00  0.448860D+01 -0.102103D+02  0.795931D+00
      2  -0.537589D+01 -0.227347D+01 -0.235245D+01  0.241949D+02 -0.935763D+01
      3  -0.278609D+01  0.120577D+01 -0.429557D+01  0.281359D+01  0.157510D+02
               281           282           283           284           285 
      1   0.695982D+00 -0.178793D+01  0.963834D+00  0.500321D+00  0.858744D-01
      2  -0.118988D+00  0.758626D+01 -0.656210D+00 -0.110609D+01 -0.134772D+01
      3  -0.619449D+01 -0.759830D+00 -0.491132D+01 -0.414801D+00  0.345960D+00
               286           287           288           289           290 
      1  -0.185667D+01  0.889685D+00 -0.102501D+00  0.108576D+01 -0.527860D+00
      2   0.434294D+01 -0.793108D+00 -0.465852D+00 -0.973327D+00 -0.181401D+01
      3  -0.146320D+01  0.162878D+01  0.211271D+01 -0.440244D+01  0.656577D+01
               291           292           293           294           295 
      1   0.133258D+01 -0.267259D+00  0.601590D+01 -0.365335D+01  0.649337D+00
      2  -0.142544D+01 -0.774448D+00  0.399527D+01  0.379315D+01 -0.153847D+01
      3   0.400958D+00  0.364251D+01 -0.325431D+02 -0.256191D+01 -0.839974D+00
               296           297 
      1  -0.461067D+00 -0.846161D-01
      2   0.260787D+01  0.147479D+01
      3   0.117983D+01 -0.267907D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.759288D+01  0.899197D+01 -0.211249D+02 -0.206941D+01 -0.138351D+02
      2   0.358367D+01 -0.724159D+01  0.683865D+01 -0.689136D+01  0.219118D+02
      3   0.400921D+01 -0.175038D+01  0.142863D+02  0.896076D+01 -0.807671D+01
      4   0.101968D+02 -0.235687D+00  0.667489D+01  0.827661D+01 -0.681820D+01
      5  -0.111296D+02  0.594154D+01 -0.136469D+01  0.103706D+02  0.336522D+01
      6   0.487738D+01  0.426031D+01 -0.434200D+01 -0.716124D+00 -0.643065D+01
                 6             7             8             9            10 
      1   0.666818D+01  0.374545D+02 -0.205983D+01  0.100516D+02  0.584856D+02
      2  -0.127535D+02 -0.112128D+02 -0.139653D+01 -0.519022D+01 -0.282952D+02
      3   0.608535D+01 -0.262416D+02  0.345635D+01 -0.486142D+01 -0.301905D+02
      4   0.223955D+01 -0.307019D+01  0.798319D+00  0.690830D+01 -0.929054D+01
      5   0.673683D+01  0.471276D+01  0.709729D+01 -0.611478D+01 -0.855204D+01
      6   0.424609D+01  0.112009D+02 -0.337023D+01  0.696481D+01  0.198294D+01
                11            12            13            14            15 
      1   0.857142D+01 -0.223592D+01  0.156120D+02 -0.239171D+01  0.451913D+01
      2  -0.731642D+01  0.412072D+01 -0.153979D+02  0.809146D+01 -0.664944D-01
      3  -0.125501D+01 -0.188479D+01 -0.214084D+00 -0.569975D+01 -0.445264D+01
      4   0.156051D+01 -0.358691D+01  0.165199D+02 -0.696904D+01 -0.141296D+01
      5  -0.440232D+01  0.102057D+02  0.114204D+02 -0.262512D+00 -0.318544D+01
      6   0.122768D+01 -0.671210D+01 -0.441107D+01  0.397595D+01  0.830158D+01
                16            17            18            19            20 
      1  -0.946412D+01  0.476517D+01 -0.181137D+02  0.618586D+01 -0.108052D+02
      2  -0.537706D+00  0.425821D+01  0.217751D+01  0.531182D+00  0.104930D+02
      3   0.100018D+02 -0.902338D+01  0.159362D+02 -0.671705D+01  0.312172D+00
      4   0.131836D+02 -0.891524D+00 -0.281046D+01 -0.842852D+01 -0.382253D+00
      5  -0.139547D+02 -0.388251D+01 -0.287578D+01  0.116793D+02  0.154592D+01
      6  -0.621755D+01  0.226916D+01 -0.343048D+01 -0.230668D+01 -0.532498D+01
                21            22            23            24            25 
      1   0.190307D+02  0.494888D+01 -0.111508D+02 -0.513372D+01 -0.199884D+02
      2  -0.114956D+02  0.388915D+01  0.165800D+02 -0.101076D+02  0.141957D+01
      3  -0.753510D+01 -0.883803D+01 -0.542919D+01  0.152413D+02  0.185689D+02
      4   0.231008D+01  0.149395D+02  0.677266D+01 -0.232047D+01 -0.147539D+01
      5  -0.116136D+02  0.758111D-01 -0.152527D+01 -0.124364D+01  0.882410D+01
      6   0.553081D+01 -0.178435D+00 -0.688614D+01  0.558153D+01 -0.114256D+02
                26            27            28            29            30 
      1  -0.314935D+01  0.884438D+01  0.242795D+02 -0.477196D+01  0.279205D+01
      2  -0.312498D+01 -0.416291D+00 -0.607309D+01  0.667218D+01  0.253332D+00
      3   0.627433D+01 -0.842809D+01 -0.182064D+02 -0.190022D+01 -0.304538D+01
      4  -0.250456D+01 -0.671762D+01  0.177739D+02  0.276390D+01 -0.155168D+01
      5  -0.667686D+01  0.803099D+01  0.420116D+01 -0.110722D+01  0.812267D+01
      6   0.111335D+01  0.840573D+01  0.505897D+01 -0.105306D+01  0.556637D+01
                31            32            33            34            35 
      1  -0.521281D+01 -0.436291D+00  0.731624D+01 -0.704559D+01  0.875526D+01
      2   0.915077D+01  0.489032D+01 -0.235868D+01  0.158444D+01  0.162811D+01
      3  -0.393795D+01 -0.445403D+01 -0.495756D+01  0.546115D+01 -0.103834D+02
      4   0.153418D+02  0.497612D+00  0.138118D+01  0.100700D+02  0.529718D+01
      5   0.123471D+02  0.103138D+00  0.916953D+00 -0.161203D+02  0.391171D+01
      6  -0.176184D+01  0.328521D+01  0.601505D+01 -0.324163D+00  0.146077D+01
                36            37            38            39            40 
      1  -0.166472D+02 -0.291194D+01  0.438503D+01 -0.221892D+02 -0.106239D+02
      2   0.281652D+01 -0.161077D+01 -0.214301D+01  0.604714D+01 -0.170143D+01
      3   0.138307D+02  0.452271D+01 -0.224201D+01  0.161421D+02  0.123254D+02
      4   0.257744D+01  0.344321D+01 -0.162370D+01  0.321818D+01  0.484622D+01
      5   0.698298D+00 -0.155210D+02  0.269754D+01 -0.291817D+01  0.119133D+01
      6  -0.639947D+01  0.214440D+01  0.482831D+01  0.584205D+01  0.252498D+01
                41            42            43            44            45 
      1  -0.477000D+01 -0.591990D+01  0.231486D+02 -0.864568D+01  0.624668D+01
      2   0.552916D+01  0.441506D+00  0.133343D+00  0.178536D+01 -0.103683D+01
      3  -0.759166D+00  0.547839D+01 -0.232819D+02  0.686032D+01 -0.520985D+01
      4  -0.730676D+00  0.356310D+01  0.325299D+01  0.450800D+01  0.627849D+01
      5   0.167588D+01  0.832518D+01  0.100149D+02  0.562911D+01 -0.607647D+01
      6   0.303495D+01  0.789188D+01  0.112674D+02  0.172467D+01  0.102974D+02
                46            47            48            49            50 
      1  -0.202572D+00 -0.779578D+01  0.183401D+02  0.136284D+02 -0.182785D+01
      2   0.730195D+01  0.347695D+01 -0.691865D+01 -0.371822D+01  0.236667D+01
      3  -0.709938D+01  0.431884D+01 -0.114215D+02 -0.991017D+01 -0.538819D+00
      4  -0.189157D+01  0.406383D+01 -0.180956D+01  0.944941D+01  0.469691D+01
      5   0.177830D+02 -0.865226D-02 -0.804940D+01 -0.944773D+01 -0.416746D+01
      6   0.110944D+01 -0.366200D+01  0.234707D+00 -0.237402D+01  0.425940D+01
                51            52            53            54            55 
      1  -0.179712D+02 -0.235344D+02 -0.973633D+01  0.508829D+01 -0.355977D+02
      2   0.271386D+01  0.358418D+01  0.266189D+01  0.509505D+01  0.161540D+02
      3   0.152573D+02  0.199502D+02  0.707444D+01 -0.101833D+02  0.194437D+02
      4  -0.453749D+01  0.335162D+01 -0.222869D+01 -0.481310D+01 -0.630992D+01
      5  -0.342990D+01  0.862643D+01 -0.392435D+01  0.656924D+01 -0.423157D+01
      6   0.129954D+02 -0.563892D+01  0.549103D+01  0.128582D+02  0.574134D+00
                56            57            58            59            60 
      1  -0.104270D+02 -0.471783D+01 -0.380571D+02 -0.254257D+02  0.166173D+01
      2   0.733627D+01 -0.137623D+00  0.262345D+02  0.636167D+01  0.592669D+01
      3   0.309075D+01  0.485546D+01  0.118227D+02  0.190640D+02 -0.758842D+01
      4  -0.286419D+02  0.719217D+00 -0.493302D+02  0.125020D+02 -0.153510D+02
      5   0.397810D+00 -0.140141D+02 -0.776564D+00 -0.151381D+02  0.163267D+02
      6   0.488880D-01  0.202405D+01 -0.500906D+00  0.399801D+01 -0.596250D+01
                61            62            63            64            65 
      1  -0.149649D+02  0.841732D+00 -0.331082D+01 -0.923610D+02  0.300183D+02
      2  -0.213756D+01  0.725197D+01  0.663171D+01  0.502422D+02 -0.137342D+02
      3   0.171024D+02 -0.809370D+01 -0.332090D+01  0.421188D+02 -0.162840D+02
      4  -0.893351D+00 -0.197116D+02  0.280347D+02  0.288952D+02  0.242215D+02
      5  -0.258555D+02  0.246664D+02  0.357226D+02  0.236492D+02 -0.236008D+01
      6   0.122933D+02 -0.604825D+01 -0.109514D+02  0.118480D+01 -0.270862D+01
                66            67            68            69            70 
      1   0.231804D+02  0.683026D+02  0.243466D+02 -0.761378D+01  0.355110D+02
      2  -0.131993D+02 -0.315718D+02 -0.109582D+02  0.796835D+01 -0.144216D+02
      3  -0.998108D+01 -0.367308D+02 -0.133883D+02 -0.354572D+00 -0.210894D+02
      4  -0.131844D+01  0.331833D+02  0.113705D+02  0.232788D+02  0.297424D+01
      5   0.760585D+01 -0.161925D+01  0.247725D+02 -0.227865D+02  0.781525D+00
      6   0.172060D+01  0.202570D+01  0.630224D+01 -0.426450D+01 -0.314412D+01
                71            72            73            74            75 
      1  -0.369048D+01  0.305862D+01  0.364430D+02 -0.232666D+02 -0.189055D+02
      2   0.780713D+01 -0.195451D+01 -0.194813D+02  0.505202D+01  0.107534D+02
      3  -0.411666D+01 -0.110411D+01 -0.169617D+02  0.182146D+02  0.815211D+01
      4   0.219829D+02 -0.182097D+02 -0.218666D+02 -0.324406D+02 -0.576431D+01
      5  -0.187426D+02 -0.316410D+02 -0.109111D+02 -0.800255D+01 -0.187659D+02
      6  -0.529843D+01 -0.507527D+01 -0.150024D+02 -0.918725D+01 -0.799966D+00
                76            77            78            79            80 
      1  -0.312238D+02 -0.270686D+02 -0.150452D+01 -0.211841D+02  0.104961D+01
      2   0.684558D+01  0.174149D+02 -0.124721D+02  0.108449D+02 -0.123178D+02
      3   0.243782D+02  0.965367D+01  0.139766D+02  0.103392D+02  0.112681D+02
      4  -0.422221D+02 -0.151029D+02 -0.373442D+02 -0.200642D+01 -0.263673D+02
      5  -0.921384D+01 -0.442594D+02  0.234190D+02 -0.110207D+02  0.209462D+02
      6  -0.152430D+02 -0.686502D+01 -0.998226D+01  0.168230D+01 -0.813941D+01
                81            82            83            84            85 
      1  -0.107542D+02  0.366190D+02 -0.215744D+02 -0.114145D+02 -0.296357D+02
      2   0.160932D+01 -0.356441D+02 -0.175040D+00  0.543611D+01  0.444551D+00
      3   0.914488D+01 -0.974940D+00  0.217495D+02  0.597840D+01  0.291911D+02
      4   0.183116D+02 -0.179026D+02 -0.389346D+02 -0.279453D+00 -0.401056D+02
      5   0.109402D+02 -0.144165D+02  0.593647D+01 -0.580687D+01  0.337166D+01
      6   0.134019D+02  0.141449D+01  0.446430D+01 -0.306635D+01  0.306608D+01
                86            87            88            89            90 
      1  -0.259767D+02  0.834557D+01 -0.131010D+02  0.285791D+01  0.336429D+00
      2  -0.101422D+01 -0.552033D+01  0.659862D+00 -0.678196D+01  0.235680D+02
      3   0.269909D+02 -0.282524D+01  0.124412D+02  0.392405D+01 -0.239044D+02
      4  -0.336694D+02 -0.146294D+02 -0.102494D+02 -0.222425D+02  0.114385D+02
      5  -0.124218D+02  0.226618D+02 -0.392880D+01  0.147891D+02  0.488203D+02
      6  -0.568141D+01  0.108649D+02 -0.123969D+01  0.102834D+02  0.101793D+02
                91            92            93            94            95 
      1   0.140848D+01 -0.317832D+01 -0.703556D+01 -0.503944D+01 -0.181427D+02
      2  -0.453003D+01 -0.950447D+00  0.141585D+01  0.807369D+01  0.803819D+01
      3   0.312156D+01  0.412876D+01  0.561972D+01 -0.303424D+01  0.101045D+02
      4  -0.172387D+02 -0.158116D+02 -0.440354D+01 -0.411887D+02  0.198101D+02
      5  -0.186896D+02 -0.260512D+01 -0.109103D+02 -0.118956D+02 -0.651850D+01
      6  -0.114467D+01 -0.607169D+01 -0.670707D+01 -0.158299D+01  0.286001D+01
                96            97            98            99           100 
      1  -0.782114D+01 -0.184365D+02 -0.869407D+01 -0.453288D+01  0.674509D+01
      2   0.388823D+01  0.328906D+01 -0.452027D+00  0.653279D+01 -0.236034D+01
      3   0.393291D+01  0.151474D+02  0.914609D+01 -0.199991D+01 -0.438475D+01
      4  -0.627609D+01 -0.208732D+02 -0.670489D+01 -0.218784D+02  0.101211D+02
      5  -0.188814D+02 -0.204178D+02 -0.207123D+02  0.224960D+02  0.124024D+02
      6  -0.342753D+01 -0.985585D+01 -0.485216D+01  0.819546D+01 -0.635416D+01
               101           102           103           104           105 
      1   0.291946D+01  0.436548D+01  0.179184D+02  0.520084D+01  0.151258D+01
      2  -0.962841D+00 -0.275163D+01 -0.161884D+02  0.157939D+01  0.361755D+01
      3  -0.195662D+01 -0.161385D+01 -0.172999D+01 -0.678024D+01 -0.513013D+01
      4   0.154582D+01 -0.418704D+01 -0.351265D+00 -0.133403D+02  0.106456D+02
      5  -0.563755D+01 -0.385284D+01 -0.135808D+02  0.130628D+02  0.352637D+02
      6   0.442340D+01  0.719796D+01  0.693886D+01 -0.125932D+02 -0.198799D+02
               106           107           108           109           110 
      1   0.164171D+02 -0.633446D+00  0.428708D+00  0.188016D+02 -0.139782D+02
      2   0.848051D-01 -0.107359D+02  0.295927D+01 -0.111247D+02  0.646761D+01
      3  -0.165019D+02  0.113693D+02 -0.338797D+01 -0.767696D+01  0.751062D+01
      4  -0.153700D+02  0.318340D+02  0.253810D+02 -0.193225D+02  0.172756D+02
      5  -0.215455D+02  0.264499D+02  0.172218D+02 -0.283261D+02  0.921033D+01
      6   0.146106D+02 -0.234058D+02 -0.125634D+02  0.117716D+02 -0.291836D+01
               111           112           113           114           115 
      1  -0.213823D+02 -0.164041D+02 -0.727719D+01 -0.665933D+01 -0.298612D+02
      2   0.137886D+02  0.500921D+01  0.167954D+02  0.420915D+01  0.163293D+02
      3   0.759372D+01  0.113949D+02 -0.951824D+01  0.245018D+01  0.135318D+02
      4   0.121714D+02  0.292362D+02 -0.333773D+02 -0.240778D+02  0.276937D+02
      5   0.209447D+02  0.193520D+02 -0.265270D+02 -0.295377D+02  0.379332D+02
      6  -0.494224D+01 -0.908491D+01  0.253044D+02  0.270776D+02 -0.159728D+02
               116           117           118           119           120 
      1  -0.419940D+01 -0.592289D+01  0.906357D+01 -0.471756D+01  0.119153D+02
      2   0.767386D+01 -0.144898D+02 -0.760236D+01  0.880422D+01 -0.822473D+01
      3  -0.347445D+01  0.204127D+02 -0.146121D+01 -0.408666D+01 -0.369060D+01
      4  -0.353861D+02 -0.266731D+02 -0.146571D+00 -0.703668D+01 -0.294588D+01
      5  -0.299832D+02 -0.656839D+02  0.104610D+02  0.143653D+01  0.770600D+01
      6   0.289743D+02  0.369456D+02 -0.391351D+01 -0.207327D+01 -0.148026D+01
               121           122           123           124           125 
      1  -0.178577D+01 -0.246810D+01  0.349807D+01  0.187299D+02  0.126818D+01
      2   0.115631D+02 -0.201336D+02  0.268563D+00 -0.108523D+02 -0.107490D+01
      3  -0.977729D+01  0.226017D+02 -0.376663D+01 -0.787764D+01 -0.193279D+00
      4  -0.182728D+02  0.499135D+02 -0.133602D+01 -0.849848D+01  0.740148D+01
      5   0.278554D+01 -0.173871D+01 -0.219319D+01  0.169381D+02 -0.107572D+02
      6  -0.481508D+01  0.483303D+01  0.697340D+01 -0.432363D+01  0.134712D+02
               126           127           128           129           130 
      1  -0.185067D+01  0.237514D+01  0.235885D+01 -0.129521D+01 -0.121988D+00
      2  -0.744975D+01 -0.235102D+01 -0.258384D+01 -0.167837D+01  0.799510D+00
      3   0.930042D+01 -0.241252D-01  0.224984D+00  0.297358D+01 -0.677522D+00
      4  -0.101044D+02 -0.101400D+02  0.759305D+01 -0.806218D+01  0.504726D+01
      5   0.299475D+02  0.156139D+02 -0.566971D+01  0.140900D+02 -0.796424D+01
      6  -0.173301D+02 -0.862073D+01  0.585841D+01 -0.866017D+01  0.558880D+01
               131           132           133           134           135 
      1  -0.404155D+01  0.478304D+01 -0.437884D+01  0.815975D+01 -0.147558D+02
      2   0.228806D+01 -0.368019D+00 -0.187431D+01 -0.410799D+01 -0.201359D+01
      3   0.175350D+01 -0.441502D+01  0.625315D+01 -0.405176D+01  0.167694D+02
      4  -0.577095D+01  0.589752D+01 -0.853809D+01  0.752519D+01 -0.107010D+02
      5   0.521410D+01 -0.829366D+01  0.153536D+02 -0.789541D+01  0.208903D+02
      6  -0.653490D+01  0.879041D+01 -0.107667D+02  0.121917D+02 -0.192511D+02
               136           137           138           139           140 
      1  -0.309026D+01 -0.171421D+01  0.562377D+01 -0.255648D+01 -0.468085D+01
      2  -0.260157D+01  0.323532D+00  0.270931D+01 -0.402762D+00  0.118678D+01
      3   0.569183D+01  0.139068D+01 -0.833309D+01  0.295924D+01  0.349407D+01
      4   0.552392D+01  0.354458D+01 -0.550140D+01  0.230940D+01  0.175224D+01
      5  -0.879214D+01 -0.342516D+01  0.114902D+02 -0.308519D+01 -0.248716D+01
      6  -0.600809D+01 -0.348839D+01  0.649659D+01 -0.293858D+01 -0.540284D+01
               141           142           143           144           145 
      1   0.817212D+01  0.756551D+01  0.107608D+02 -0.292846D+02  0.259459D+01
      2   0.111803D+00  0.202660D+01 -0.284203D+01 -0.548615D+01 -0.566013D+01
      3  -0.828393D+01 -0.959211D+01 -0.791877D+01  0.347708D+02  0.306554D+01
      4  -0.281741D+01 -0.569170D+01 -0.510615D+01  0.809120D+01 -0.100386D+01
      5   0.352622D+01  0.102800D+02  0.500337D+01 -0.165468D+02  0.118932D+02
      6   0.890275D+01  0.859511D+01  0.127014D+02 -0.240805D+02 -0.656192D+00
               146           147           148           149           150 
      1   0.430973D+00 -0.128723D+01  0.823270D+00 -0.165676D+01  0.512606D+01
      2   0.832797D+00 -0.472591D+01  0.211775D+01 -0.530880D+00  0.270476D+01
      3  -0.126377D+01  0.601314D+01 -0.294102D+01  0.218764D+01 -0.783082D+01
      4   0.328264D+01 -0.823963D+00  0.224259D+01 -0.302553D+01  0.963627D+00
      5  -0.281648D+01  0.102740D+02 -0.422110D+01  0.313035D+01 -0.643772D+01
      6   0.171596D+01 -0.732512D+00  0.610327D+00 -0.272266D+01  0.217019D+01
               151           152           153           154           155 
      1  -0.376990D+01  0.391401D+01 -0.135237D+02 -0.161485D+00  0.671258D+00
      2  -0.607123D+01  0.147941D+01 -0.964079D+01 -0.562745D+01 -0.151710D+01
      3   0.984113D+01 -0.539342D+01  0.231645D+02  0.578894D+01  0.845841D+00
      4  -0.121088D+01  0.249474D+01 -0.175102D+01  0.126371D+01  0.253668D+01
      5   0.127673D+02 -0.414914D+01  0.162454D+02 -0.983554D+01 -0.226945D+01
      6  -0.162089D+01  0.460833D+01 -0.302946D+01  0.794410D+00 -0.144482D+01
               156           157           158           159           160 
      1   0.262843D+01 -0.221528D+01 -0.292958D+01  0.676376D+01  0.374326D+01
      2   0.579794D+01 -0.590863D+00 -0.691015D+00  0.302527D+01  0.746592D+01
      3  -0.842636D+01  0.280615D+01  0.362060D+01 -0.978902D+01 -0.112092D+02
      4  -0.507305D+00  0.124796D+01  0.954806D+00 -0.143552D+01 -0.196960D+01
      5   0.123198D+02 -0.208548D+01 -0.259035D+01  0.369853D+01  0.129207D+02
      6  -0.154725D+01 -0.959535D+00 -0.235932D+01  0.189316D+01  0.193944D+00
               161           162           163           164           165 
      1   0.316800D+01 -0.229251D+02  0.102780D+02 -0.271964D+01 -0.877327D+01
      2   0.241065D+01 -0.163619D+02 -0.802966D+01  0.836012D+00  0.625614D+01
      3  -0.557865D+01  0.392870D+02 -0.224834D+01  0.188363D+01  0.251713D+01
      4  -0.338207D+01  0.202874D+01 -0.674674D+01  0.105125D+02  0.699697D+01
      5   0.399716D+01 -0.210136D+02 -0.161553D+02  0.514223D+01  0.161247D+02
      6   0.489704D+01  0.279455D+00  0.488300D+01 -0.196062D+01 -0.336510D+01
               166           167           168           169           170 
      1   0.453254D+01  0.130885D+01 -0.241570D+01 -0.167145D+02 -0.408586D+01
      2  -0.341137D+01  0.709379D+00  0.123190D+01  0.140582D+02  0.720048D+00
      3  -0.112117D+01 -0.201823D+01  0.118380D+01  0.265621D+01  0.336581D+01
      4   0.125293D+02 -0.103807D+02 -0.961325D+01  0.136161D+02 -0.152478D+02
      5   0.541672D+01 -0.953976D+01 -0.102353D+02  0.285687D+02 -0.193749D+02
      6  -0.362513D+01  0.665859D+01  0.957694D+01 -0.990303D+01  0.119670D+02
               171           172           173           174           175 
      1  -0.290968D+01  0.208699D+02 -0.101811D+02  0.648810D+01 -0.109980D+02
      2  -0.112134D+02 -0.434585D+01 -0.172769D+00 -0.176124D+01 -0.389877D+01
      3   0.141231D+02 -0.165240D+02  0.103538D+02 -0.472685D+01  0.148967D+02
      4  -0.226320D+02 -0.226989D+02  0.251541D+02 -0.592700D+01  0.332155D+02
      5  -0.488950D+02  0.942990D+01 -0.390766D+01  0.780149D+01 -0.552602D+01
      6   0.191970D+02 -0.310272D+01  0.670695D+00 -0.182475D+01  0.249241D+01
               176           177           178           179           180 
      1   0.412852D+01 -0.650170D+00  0.188089D+02 -0.529399D+00  0.260948D+01
      2   0.169880D+02 -0.429668D+01 -0.502971D+01 -0.676143D+01  0.280953D+00
      3  -0.211165D+02  0.494685D+01 -0.137792D+02  0.729083D+01 -0.289044D+01
      4  -0.455139D+02  0.123833D+02 -0.155050D+02  0.232991D+02 -0.143925D+02
      5   0.113321D+02 -0.896691D+01  0.110004D+02 -0.127216D+02  0.823387D+01
      6  -0.476789D+01  0.555902D+01 -0.478736D+01  0.649647D+01 -0.428881D+01
               181           182           183           184           185 
      1   0.146578D+03 -0.176564D+02 -0.165958D+02 -0.287268D+02  0.138855D+02
      2  -0.744970D+02  0.924030D+01  0.817615D+01  0.142581D+02 -0.530900D+01
      3  -0.720808D+02  0.841611D+01  0.841969D+01  0.144687D+02 -0.857648D+01
      4  -0.132404D+02  0.137840D+02  0.155989D+01  0.171925D+02 -0.886121D+01
      5  -0.190994D+02  0.223462D+01  0.165626D+02  0.236622D+01 -0.603604D+01
      6   0.623661D+00 -0.105760D+01  0.144011D+01 -0.132257D+01 -0.967578D-01
               186           187           188           189           190 
      1   0.293187D+01 -0.201328D+02  0.196453D+01  0.167318D+02 -0.451674D+02
      2  -0.209999D+01  0.113256D+02 -0.190796D+01 -0.101449D+02  0.223694D+02
      3  -0.831881D+00  0.880723D+01 -0.565714D-01 -0.658685D+01  0.227980D+02
      4  -0.559913D+01  0.337925D+00 -0.529280D+01 -0.101672D+00 -0.458408D+01
      5  -0.511691D+00  0.233788D+02 -0.369228D+00 -0.445932D+01 -0.108293D+02
      6   0.236327D+01  0.143487D+00  0.249455D+01  0.770046D+00  0.582559D+01
               191           192           193           194           195 
      1   0.977360D+01  0.132167D+02  0.911493D+01 -0.745022D+01 -0.537138D+01
      2  -0.553684D+01 -0.199433D+01 -0.449880D+01  0.467029D+01  0.366570D+01
      3  -0.423675D+01 -0.112224D+02 -0.461613D+01  0.277993D+01  0.170568D+01
      4  -0.287737D+01 -0.137082D+01  0.236077D+01  0.349236D+01  0.548043D+01
      5  -0.134535D+01 -0.761695D+01  0.809581D+00  0.469904D+01  0.241678D+00
      6  -0.529150D+01 -0.644354D+01 -0.196490D+01  0.425841D+01  0.508215D+01
               196           197           198           199           200 
      1   0.101165D+02 -0.306672D+01 -0.953022D+01  0.323471D+02  0.206351D+02
      2  -0.240577D+01  0.152591D+01  0.875529D+00 -0.138517D+02 -0.535435D+01
      3  -0.771075D+01  0.154081D+01  0.865469D+01 -0.184954D+02 -0.152807D+02
      4   0.691846D+00  0.358021D+01 -0.126056D+01  0.333464D+02  0.313411D+02
      5   0.166217D+01 -0.105911D+01  0.329423D+01  0.264350D+02  0.167289D+02
      6  -0.328217D+01  0.419548D+01  0.222141D+01  0.123826D+02  0.112683D+02
               201           202           203           204           205 
      1   0.129559D+02  0.244245D+02  0.151655D+02  0.581590D+01  0.689783D+01
      2  -0.906764D+01 -0.592965D+01  0.299103D+01 -0.268683D+01 -0.592844D+01
      3  -0.388828D+01 -0.184948D+02 -0.181566D+02 -0.312906D+01 -0.969393D+00
      4   0.134153D+02  0.400041D+02  0.487291D+02  0.235056D+02  0.970272D+01
      5   0.213003D+02  0.240138D+02  0.275021D+02  0.208788D+02  0.177398D+02
      6   0.772667D+01  0.153065D+02  0.208461D+02  0.146770D+02  0.716248D+01
               206           207           208           209           210 
      1   0.195175D+01  0.647318D+01  0.105071D+02 -0.639570D+01  0.123681D+02
      2  -0.177774D+01 -0.537382D+01 -0.914762D+01  0.577182D+01 -0.110018D+02
      3  -0.174017D+00 -0.109935D+01 -0.135948D+01  0.623875D+00 -0.136627D+01
      4   0.121224D+02  0.116148D+02 -0.696082D+01  0.123960D+02 -0.564476D+01
      5   0.121226D+02  0.140936D+02  0.172650D+02 -0.803763D+01  0.186614D+02
      6   0.102543D+02  0.737460D+01 -0.150839D+01  0.418351D+01 -0.160760D+01
               211           212           213           214           215 
      1  -0.113393D+02  0.638396D+01 -0.370072D+01  0.102999D+02 -0.139510D+01
      2   0.105280D+02 -0.900083D+01  0.143218D+02 -0.114367D+02  0.998556D+01
      3   0.811322D+00  0.261687D+01 -0.106211D+02  0.113686D+01 -0.859046D+01
      4   0.131239D+02 -0.264240D+02  0.215084D+02 -0.563722D+01  0.162298D+02
      5  -0.155246D+02  0.244743D+02 -0.326403D+02  0.194460D+02 -0.194794D+02
      6   0.512050D+01 -0.120050D+02  0.917502D+01 -0.227999D+01  0.926628D+01
               216           217           218           219           220 
      1   0.242578D+01  0.120019D+01  0.203762D+01 -0.863215D+01 -0.150776D+01
      2  -0.190446D+02 -0.283315D+01  0.552002D+00  0.698038D+01  0.292230D+01
      3   0.166188D+02  0.163296D+01 -0.258962D+01  0.165177D+01 -0.141453D+01
      4  -0.175999D+02  0.287051D+01  0.648152D+01 -0.265583D+01  0.424834D+01
      5   0.364780D+02 -0.107242D+02 -0.102632D+01  0.142235D+02  0.154481D+01
      6  -0.751663D+01 -0.258369D+01 -0.136506D+01  0.192933D+01 -0.814548D+00
               221           222           223           224           225 
      1   0.675783D+00  0.807720D-03 -0.861666D+01  0.171300D+01 -0.116732D+02
      2  -0.186680D+01 -0.518202D+01  0.892192D+01 -0.398741D+01 -0.253249D+02
      3   0.119102D+01  0.518121D+01 -0.305255D+00  0.227442D+01  0.369982D+02
      4  -0.408323D+00 -0.468829D+01 -0.505117D+01 -0.873603D+01  0.324821D+01
      5  -0.557788D+01 -0.112170D+02  0.173456D+02  0.240454D+01 -0.683367D+02
      6   0.989620D-01  0.297498D+01  0.448269D+01  0.715898D+01 -0.233532D+02
               226           227           228           229           230 
      1   0.258174D+02  0.196871D+02  0.156468D+01  0.179970D+02  0.102723D+02
      2  -0.675352D-02  0.514608D+01  0.245542D+00  0.829589D+01  0.269665D+02
      3  -0.258106D+02 -0.248332D+02 -0.181022D+01 -0.262929D+02 -0.372388D+02
      4   0.395836D+02  0.433561D+02 -0.177266D+01  0.462169D+02  0.675854D+02
      5  -0.410109D+01 -0.564608D+01  0.939018D+01 -0.554913D+01 -0.491372D+01
      6  -0.346781D+01 -0.498901D+01  0.531493D+01 -0.498657D+01 -0.850566D+01
               231           232           233           234           235 
      1  -0.261313D+00  0.642121D+01  0.166886D+01  0.349442D+01 -0.420992D+02
      2   0.903210D+00  0.522370D+00  0.516397D+01 -0.131490D+01  0.279898D+02
      3  -0.641897D+00 -0.694358D+01 -0.683283D+01 -0.217952D+01  0.141094D+02
      4  -0.156528D+01  0.783479D+01  0.130482D+02  0.723776D+01 -0.128253D+02
      5   0.677326D+01  0.738512D+01  0.574062D+01 -0.152678D+01  0.116028D+02
      6   0.612170D+01  0.423219D+01  0.460877D+01  0.257153D+00  0.141920D+00
               236           237           238           239           240 
      1   0.141464D+02  0.944293D+00  0.105990D+02 -0.103998D+02  0.393804D+00
      2  -0.139477D+02 -0.148167D+01 -0.834643D+01  0.124602D+02  0.141960D+00
      3  -0.198786D+00  0.537380D+00 -0.225252D+01 -0.206035D+01 -0.535764D+00
      4  -0.404715D+01  0.334872D+01  0.321165D+01  0.516145D+01  0.401937D+00
      5   0.605874D+00 -0.594301D+01 -0.164300D+01  0.211388D+01 -0.470382D+00
      6   0.362253D+01 -0.472100D+01  0.124673D+01 -0.164675D+01  0.975897D+00
               241           242           243           244           245 
      1   0.525387D+01 -0.242280D+01 -0.575713D+01  0.229923D+01  0.389921D+01
      2  -0.317581D+01  0.350207D+01  0.347975D+00 -0.385283D+01 -0.212860D+01
      3  -0.207806D+01 -0.107927D+01  0.540915D+01  0.155359D+01 -0.177061D+01
      4   0.165610D+01  0.378317D+01 -0.151069D+01  0.644231D+01  0.672342D+01
      5  -0.151667D+01 -0.205958D+00 -0.306378D+01 -0.107912D+02 -0.270688D+01
      6  -0.255626D+01  0.134267D+01 -0.606902D+00 -0.437804D+01 -0.572955D+00
               246           247           248           249           250 
      1  -0.591019D+01  0.430127D+01 -0.141889D+00  0.200226D+01 -0.769979D+01
      2   0.444650D+01 -0.191884D+01  0.109666D+01 -0.149903D+01  0.753592D+01
      3   0.146369D+01 -0.238242D+01 -0.954772D+00 -0.503228D+00  0.163876D+00
      4  -0.360869D+01  0.101067D+02  0.629712D+01 -0.725966D+01 -0.615435D+01
      5   0.120007D+02 -0.371658D+01 -0.739294D+01  0.106195D+02  0.160483D+02
      6   0.261824D+01 -0.215091D+01 -0.601421D+01  0.791146D+01  0.422536D+01
               251           252           253           254           255 
      1   0.207173D+01 -0.450601D+01 -0.853205D+02 -0.478303D+01  0.767864D+01
      2   0.957296D+00 -0.947394D+01  0.434417D+02  0.100308D+02 -0.553589D+01
      3  -0.302902D+01  0.139799D+02  0.418788D+02 -0.524776D+01 -0.214275D+01
      4  -0.105198D+02  0.106776D+02 -0.920660D+01  0.246454D+02  0.103811D+02
      5   0.939710D+01 -0.352510D+02  0.117289D+02  0.766838D+01  0.137648D+02
      6   0.744792D+01 -0.128366D+02  0.874248D+01  0.586787D+01  0.491893D+01
               256           257           258           259           260 
      1   0.181284D+02  0.341164D+02  0.319761D+01  0.303097D+02  0.399489D+01
      2  -0.617434D+01 -0.387395D+02 -0.727795D+01 -0.131163D+02 -0.347558D+01
      3  -0.119541D+02  0.462308D+01  0.408034D+01 -0.171935D+02 -0.519303D+00
      4   0.274740D+02 -0.296487D+02  0.453023D+01  0.223931D+02  0.146561D+02
      5   0.129654D+02  0.713927D+01  0.174889D+02  0.207463D+02  0.189334D+02
      6   0.638654D+01 -0.428540D+01  0.574468D+01  0.884041D+01  0.785687D+01
               261           262           263           264           265 
      1   0.152864D+02  0.702227D+01 -0.892873D+01  0.282855D+01 -0.672589D+01
      2   0.569508D+01  0.209042D+01 -0.102234D+01 -0.124932D+00 -0.962975D+01
      3  -0.209815D+02 -0.911269D+01  0.995107D+01 -0.270362D+01  0.163556D+02
      4   0.221029D+02 -0.153043D+02  0.187399D+02 -0.451050D+01  0.311175D+02
      5  -0.192318D+02  0.559945D+01 -0.468231D+01  0.382345D+01 -0.891600D+01
      6  -0.324858D+01 -0.361379D+01  0.332281D+01 -0.162510D+01  0.685945D+01
               266           267           268           269           270 
      1  -0.558599D+01  0.568732D+00  0.319638D+00  0.108990D+01 -0.740567D+00
      2   0.364472D+02 -0.642951D+01 -0.213805D+01  0.369594D+01  0.157621D+01
      3  -0.308612D+02  0.586077D+01  0.181841D+01 -0.478585D+01 -0.835645D+00
      4  -0.654004D+02  0.143740D+02  0.187321D+01 -0.367065D+01 -0.457056D+01
      5   0.155604D+02 -0.117371D+02  0.340999D+01 -0.468808D+01  0.541325D+01
      6  -0.157073D+02  0.864809D+01 -0.200513D+01  0.504652D+01 -0.358299D+01
               271           272           273           274           275 
      1   0.598936D+01 -0.443864D+00  0.563463D+01 -0.741296D+01 -0.585831D+01
      2  -0.591265D+01 -0.855182D+00 -0.216358D+01  0.384188D+01  0.289604D+01
      3  -0.767055D-01  0.129905D+01 -0.347106D+01  0.357107D+01  0.296226D+01
      4  -0.146217D+01 -0.340645D+01 -0.287517D+00 -0.283510D+01 -0.255977D+01
      5   0.325635D+01 -0.168926D+01  0.152540D+00 -0.450253D+01  0.375381D+01
      6  -0.382454D+00 -0.157520D+01 -0.121206D+01 -0.710780D+00 -0.211055D+00
               276           277           278           279           280 
      1  -0.561083D+00  0.998917D+01 -0.229175D-01 -0.116060D+02  0.131890D+03
      2   0.502725D+01 -0.688317D+01  0.426496D+01 -0.155841D+02 -0.628809D+02
      3  -0.446617D+01 -0.310600D+01 -0.424205D+01  0.271901D+02 -0.690093D+02
      4   0.407393D+01  0.449408D+01  0.868397D+01 -0.326562D+01  0.408868D+02
      5  -0.952519D+01  0.101607D+02 -0.234719D+01  0.430761D+02  0.100719D+02
      6   0.123955D+01  0.166258D+01  0.367161D+01  0.123776D+02 -0.338348D+00
               281           282           283           284           285 
      1   0.934242D+01 -0.127308D+01 -0.787451D+01  0.745605D+01 -0.302672D+00
      2  -0.120059D+01 -0.195895D+00  0.666959D+01 -0.471944D+00  0.676124D+00
      3  -0.814183D+01  0.146897D+01  0.120492D+01 -0.698411D+01 -0.373452D+00
      4   0.170173D+02  0.982574D+00  0.127387D+02  0.587139D+01 -0.117149D+01
      5   0.153359D+01  0.125890D+02 -0.164010D+01 -0.769267D+00 -0.247951D+01
      6   0.169612D+01  0.338595D+01  0.433345D+00  0.431164D+00  0.106906D+00
               286           287           288           289           290 
      1  -0.172768D+02 -0.177519D+01  0.913062D+01  0.204239D+01  0.130509D+02
      2   0.698071D+01 -0.463202D-01 -0.675136D+01  0.194698D+01 -0.129837D+02
      3   0.102961D+02  0.182151D+01 -0.237926D+01 -0.398937D+01 -0.671961D-01
      4  -0.749797D+01 -0.477122D+01  0.112400D+01  0.440990D+01 -0.579542D+01
      5   0.124324D+02 -0.710891D+00 -0.471871D+00 -0.175963D+01 -0.626964D+00
      6   0.308827D+01  0.497882D+00 -0.562858D+00 -0.130148D+00 -0.271470D+01
               291           292           293           294           295 
      1   0.159638D+00  0.104089D+02 -0.309621D+02 -0.279547D+01 -0.428847D+01
      2  -0.278334D+00 -0.279080D+01  0.535317D+02  0.308432D+01  0.983334D+00
      3   0.118696D+00 -0.761806D+01 -0.225696D+02 -0.288849D+00  0.330514D+01
      4  -0.215182D+01  0.121287D+02  0.607806D+02  0.641546D+01 -0.343360D+01
      5  -0.251436D+01  0.287659D+01  0.396672D+01  0.689572D+01 -0.113840D+00
      6  -0.215822D+01  0.748714D+00  0.116768D+02  0.743937D+01 -0.150641D+00
               296           297 
      1  -0.129317D+01 -0.571753D+01
      2  -0.138652D+01  0.424433D+01
      3   0.267969D+01  0.147320D+01
      4  -0.448113D+01  0.393719D+01
      5   0.477799D+01  0.222401D+01
      6   0.692879D+01  0.148895D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep  8 13:35:59 2021, MaxMem=  6442450944 cpu:           29327.9 elap:            3669.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.19747 -19.14005 -10.32738 -10.21445 -10.20262
 Alpha  occ. eigenvalues --  -10.19618 -10.19232 -10.19153 -10.19069 -10.19010
 Alpha  occ. eigenvalues --  -10.18947 -10.18920 -10.18652 -10.17331 -10.17285
 Alpha  occ. eigenvalues --   -1.10907  -1.01780  -0.86703  -0.82155  -0.79606
 Alpha  occ. eigenvalues --   -0.74627  -0.74268  -0.68375  -0.68019  -0.66706
 Alpha  occ. eigenvalues --   -0.62387  -0.60751  -0.58257  -0.55692  -0.51535
 Alpha  occ. eigenvalues --   -0.49875  -0.48535  -0.47916  -0.47093  -0.46020
 Alpha  occ. eigenvalues --   -0.45144  -0.43697  -0.43370  -0.42895  -0.42273
 Alpha  occ. eigenvalues --   -0.41949  -0.39604  -0.38881  -0.38523  -0.37603
 Alpha  occ. eigenvalues --   -0.37293  -0.36431  -0.35522  -0.34229  -0.33716
 Alpha  occ. eigenvalues --   -0.33597  -0.33356  -0.32128  -0.29129  -0.26190
 Alpha  occ. eigenvalues --   -0.24692
 Alpha virt. eigenvalues --   -0.02875  -0.01902   0.00328   0.00503   0.01819
 Alpha virt. eigenvalues --    0.03163   0.03689   0.04483   0.04935   0.05365
 Alpha virt. eigenvalues --    0.06134   0.07149   0.07366   0.08044   0.08797
 Alpha virt. eigenvalues --    0.08966   0.09556   0.10467   0.10756   0.11303
 Alpha virt. eigenvalues --    0.11468   0.12242   0.12667   0.12989   0.13148
 Alpha virt. eigenvalues --    0.13643   0.13990   0.14462   0.14965   0.15313
 Alpha virt. eigenvalues --    0.15991   0.16808   0.17194   0.17259   0.17703
 Alpha virt. eigenvalues --    0.18695   0.18836   0.19069   0.19487   0.20200
 Alpha virt. eigenvalues --    0.20287   0.20948   0.21508   0.22597   0.22686
 Alpha virt. eigenvalues --    0.23756   0.23928   0.24272   0.24525   0.25713
 Alpha virt. eigenvalues --    0.25817   0.26415   0.26640   0.27509   0.27756
 Alpha virt. eigenvalues --    0.28294   0.28380   0.28953   0.29510   0.29872
 Alpha virt. eigenvalues --    0.30666   0.30737   0.31032   0.31505   0.32121
 Alpha virt. eigenvalues --    0.32584   0.32861   0.32891   0.33293   0.33600
 Alpha virt. eigenvalues --    0.34234   0.34414   0.34740   0.35112   0.35348
 Alpha virt. eigenvalues --    0.36116   0.36413   0.36539   0.36612   0.36999
 Alpha virt. eigenvalues --    0.37221   0.37585   0.37804   0.38359   0.38527
 Alpha virt. eigenvalues --    0.38933   0.39139   0.39528   0.39590   0.40008
 Alpha virt. eigenvalues --    0.40099   0.40369   0.40573   0.41172   0.41615
 Alpha virt. eigenvalues --    0.42404   0.42841   0.43327   0.43380   0.43869
 Alpha virt. eigenvalues --    0.44389   0.44554   0.45015   0.45339   0.45546
 Alpha virt. eigenvalues --    0.45889   0.46461   0.46862   0.47063   0.47544
 Alpha virt. eigenvalues --    0.48211   0.48836   0.49104   0.49482   0.49860
 Alpha virt. eigenvalues --    0.50342   0.50656   0.51042   0.51628   0.51733
 Alpha virt. eigenvalues --    0.52201   0.52696   0.52912   0.53194   0.53822
 Alpha virt. eigenvalues --    0.54371   0.54713   0.55135   0.55228   0.55730
 Alpha virt. eigenvalues --    0.55985   0.56531   0.57178   0.57782   0.57840
 Alpha virt. eigenvalues --    0.58650   0.58751   0.59477   0.59622   0.59810
 Alpha virt. eigenvalues --    0.60354   0.60916   0.60997   0.61833   0.62292
 Alpha virt. eigenvalues --    0.63042   0.63381   0.63905   0.64561   0.64682
 Alpha virt. eigenvalues --    0.65891   0.66367   0.66990   0.67486   0.67975
 Alpha virt. eigenvalues --    0.68160   0.68925   0.69247   0.69546   0.70298
 Alpha virt. eigenvalues --    0.71144   0.72122   0.72238   0.73300   0.73850
 Alpha virt. eigenvalues --    0.73961   0.74631   0.75492   0.76203   0.76683
 Alpha virt. eigenvalues --    0.77429   0.78219   0.78504   0.79265   0.79575
 Alpha virt. eigenvalues --    0.80665   0.80995   0.82320   0.83395   0.84216
 Alpha virt. eigenvalues --    0.85164   0.85725   0.87900   0.88580   0.89397
 Alpha virt. eigenvalues --    0.89602   0.89885   0.90939   0.92362   0.92475
 Alpha virt. eigenvalues --    0.93611   0.93968   0.95265   0.95885   0.96847
 Alpha virt. eigenvalues --    0.97261   0.98966   0.99850   1.00454   1.01354
 Alpha virt. eigenvalues --    1.01937   1.02187   1.02932   1.03711   1.04814
 Alpha virt. eigenvalues --    1.05441   1.05873   1.05942   1.06545   1.07148
 Alpha virt. eigenvalues --    1.08206   1.08708   1.09150   1.10352   1.11625
 Alpha virt. eigenvalues --    1.13063   1.14187   1.15799   1.16189   1.17689
 Alpha virt. eigenvalues --    1.18390   1.19319   1.20374   1.20932   1.21663
 Alpha virt. eigenvalues --    1.22958   1.24231   1.24602   1.25224   1.25827
 Alpha virt. eigenvalues --    1.26829   1.28620   1.28938   1.29761   1.30434
 Alpha virt. eigenvalues --    1.31294   1.33505   1.35475   1.35719   1.36606
 Alpha virt. eigenvalues --    1.37495   1.39346   1.41605   1.42069   1.43598
 Alpha virt. eigenvalues --    1.44627   1.45180   1.46493   1.48359   1.49616
 Alpha virt. eigenvalues --    1.50563   1.51845   1.53026   1.55653   1.56715
 Alpha virt. eigenvalues --    1.58141   1.59929   1.60688   1.61052   1.61760
 Alpha virt. eigenvalues --    1.64678   1.65132   1.66654   1.67516   1.68646
 Alpha virt. eigenvalues --    1.71162   1.71705   1.73233   1.73552   1.75268
 Alpha virt. eigenvalues --    1.75925   1.77595   1.77785   1.79008   1.79584
 Alpha virt. eigenvalues --    1.80500   1.81570   1.81981   1.83356   1.83545
 Alpha virt. eigenvalues --    1.85841   1.87115   1.87843   1.88933   1.89243
 Alpha virt. eigenvalues --    1.90001   1.90766   1.91210   1.92809   1.94622
 Alpha virt. eigenvalues --    1.95632   1.95901   1.96627   1.97450   1.97911
 Alpha virt. eigenvalues --    1.98732   1.99140   2.01098   2.01205   2.02033
 Alpha virt. eigenvalues --    2.03111   2.04871   2.05102   2.05819   2.06483
 Alpha virt. eigenvalues --    2.06929   2.09127   2.10637   2.11633   2.13509
 Alpha virt. eigenvalues --    2.13701   2.14348   2.15653   2.15975   2.16788
 Alpha virt. eigenvalues --    2.17972   2.19634   2.19801   2.20689   2.22748
 Alpha virt. eigenvalues --    2.23167   2.25119   2.25588   2.26520   2.27339
 Alpha virt. eigenvalues --    2.28642   2.30408   2.31801   2.34589   2.36368
 Alpha virt. eigenvalues --    2.37665   2.38516   2.41025   2.41654   2.43174
 Alpha virt. eigenvalues --    2.43518   2.44276   2.46376   2.46885   2.48178
 Alpha virt. eigenvalues --    2.49714   2.51788   2.54078   2.55493   2.56756
 Alpha virt. eigenvalues --    2.58558   2.60347   2.61234   2.62230   2.63618
 Alpha virt. eigenvalues --    2.64707   2.67328   2.67845   2.68526   2.69368
 Alpha virt. eigenvalues --    2.70156   2.71396   2.72977   2.74449   2.78759
 Alpha virt. eigenvalues --    2.84677   2.86280   2.87403   2.88779   2.91926
 Alpha virt. eigenvalues --    2.93246   2.93603   2.94564   2.99318   3.00373
 Alpha virt. eigenvalues --    3.01747   3.04837   3.05439   3.07307   3.07644
 Alpha virt. eigenvalues --    3.08774   3.10085   3.12035   3.13263   3.15404
 Alpha virt. eigenvalues --    3.15857   3.18859   3.20590   3.21617   3.23588
 Alpha virt. eigenvalues --    3.24593   3.25053   3.27000   3.37585   3.38868
 Alpha virt. eigenvalues --    3.61529   3.66939   3.82867   3.95386
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.354837  -2.359270  -2.029640   1.266477   0.221200   0.190404
     2  C   -2.359270  15.235790   0.920018  -0.827756   0.895470  -2.037457
     3  C   -2.029640   0.920018  11.027932  -2.065595   0.039875   0.139504
     4  C    1.266477  -0.827756  -2.065595  14.325744  -2.514399   0.891326
     5  C    0.221200   0.895470   0.039875  -2.514399  10.583692  -1.980765
     6  C    0.190404  -2.037457   0.139504   0.891326  -1.980765  10.300866
     7  C   -1.657209   0.806616   0.062833   0.156681   0.053454  -1.637702
     8  C   -0.104435   0.295679   0.017949  -0.000295   0.019655  -0.100894
     9  C   -0.057183  -0.082627   0.004403  -0.005498   0.001427   0.005428
    10  C    0.014932  -0.093983  -0.000098  -0.006368   0.002186  -0.037971
    11  C    0.065373   0.154545  -1.395481   0.591882  -1.183798   0.054305
    12  C   -0.014573   0.006116  -0.042167  -0.014021   0.032362  -0.034995
    13  O    0.006024  -0.002361  -0.040653   0.048785  -0.043062   0.001073
    14  O    0.006279   0.004143  -0.024908   0.049865  -0.136937   0.042907
    15  H    1.070474  -2.332098  -1.276283   0.042720   0.193168   0.074164
    16  H   -1.199933  -0.018410   0.936394  -2.283354   0.157474   0.225798
    17  H    0.191636  -0.050481   0.081951  -1.995318   0.985847  -0.939484
    18  H    0.111084  -2.348653   0.194488   0.088349  -1.228222   0.843189
    19  H    0.118935  -0.100041   0.007381  -0.000412   0.001141   0.020298
    20  H    0.038606  -0.061421  -0.008281  -0.003118   0.007162   0.110880
    21  H    0.053041   0.055529  -0.002334  -0.000165  -0.002711   0.053840
    22  H   -0.002685   0.043849   0.010580   0.001733   0.002395  -0.003046
    23  H    0.006003   0.013335  -0.000027   0.000308  -0.000603   0.000491
    24  H    0.017770  -0.079518  -0.006682  -0.001008   0.000570   0.003032
    25  H    0.002852  -0.082233   0.000537  -0.001099  -0.007494   0.023803
    26  H   -0.000708   0.014569  -0.000571   0.000382   0.000915   0.000763
    27  H    0.000468   0.035389   0.003059   0.002060   0.002875   0.015279
    28  H    0.014846  -0.001426  -0.111157  -0.325069   0.126425   0.020613
    29  C    0.003004   0.003944  -0.013329  -0.044591  -0.041614  -0.010409
    30  H   -0.000213  -0.000070   0.002607  -0.019269   0.012165  -0.002753
    31  H    0.000802   0.001331  -0.011669   0.000152  -0.021782   0.006581
    32  H    0.000018  -0.000231  -0.019447   0.000130  -0.000564  -0.001432
    33  H   -0.001986   0.003166   0.039257  -0.047710  -0.021071   0.001189
               7          8          9         10         11         12
     1  C   -1.657209  -0.104435  -0.057183   0.014932   0.065373  -0.014573
     2  C    0.806616   0.295679  -0.082627  -0.093983   0.154545   0.006116
     3  C    0.062833   0.017949   0.004403  -0.000098  -1.395481  -0.042167
     4  C    0.156681  -0.000295  -0.005498  -0.006368   0.591882  -0.014021
     5  C    0.053454   0.019655   0.001427   0.002186  -1.183798   0.032362
     6  C   -1.637702  -0.100894   0.005428  -0.037971   0.054305  -0.034995
     7  C    8.244063   0.086046   0.085572   0.067173  -0.003987   0.000004
     8  C    0.086046   5.664260   0.310649   0.314728  -0.000224   0.000322
     9  C    0.085572   0.310649   4.240363  -0.018408  -0.000293  -0.000109
    10  C    0.067173   0.314728  -0.018408   4.238042   0.000017  -0.000098
    11  C   -0.003987  -0.000224  -0.000293   0.000017   8.023641   0.196390
    12  C    0.000004   0.000322  -0.000109  -0.000098   0.196390   5.073820
    13  O    0.000032  -0.000040   0.000016   0.000004  -0.015276   0.077959
    14  O   -0.000230  -0.000099   0.000021  -0.000013  -0.096613   0.004778
    15  H   -0.707966  -0.069695  -0.030753   0.005144   0.034260  -0.000524
    16  H    0.024793   0.005187  -0.000075  -0.000807  -0.638370  -0.031885
    17  H    0.026198   0.005387  -0.000666  -0.000806  -0.447509   0.026449
    18  H   -0.695372  -0.078458   0.003314  -0.022555   0.008211  -0.005561
    19  H   -0.034114   0.064845  -0.001283   0.005475  -0.000037   0.000014
    20  H   -0.062243   0.070436   0.008813  -0.000248  -0.000066  -0.000033
    21  H   -0.248717   0.241961  -0.065279  -0.061562   0.000000   0.000002
    22  H   -0.096180   0.161334   0.081187  -0.013560  -0.000140   0.000110
    23  H    0.041520   0.197984   0.080869  -0.016551   0.000008   0.000000
    24  H   -0.100604   0.089707   0.281669   0.006503  -0.000013  -0.000014
    25  H   -0.107903   0.096847   0.006139   0.272538   0.000003  -0.000013
    26  H    0.051066   0.190150  -0.015540   0.088154   0.000014  -0.000001
    27  H   -0.109096   0.161431  -0.013153   0.077868  -0.000009   0.000077
    28  H    0.000001  -0.000011  -0.000054   0.000020   0.042465  -0.072866
    29  C   -0.000211  -0.000020   0.000005  -0.000003   0.346590   0.052056
    30  H    0.000000   0.000001   0.000000  -0.000002   0.031739   0.098236
    31  H   -0.000009   0.000003  -0.000000  -0.000001   0.128288  -0.019595
    32  H    0.000003   0.000000  -0.000000  -0.000000   0.204169  -0.010950
    33  H   -0.000015  -0.000000   0.000001  -0.000000   0.159684   0.022700
              13         14         15         16         17         18
     1  C    0.006024   0.006279   1.070474  -1.199933   0.191636   0.111084
     2  C   -0.002361   0.004143  -2.332098  -0.018410  -0.050481  -2.348653
     3  C   -0.040653  -0.024908  -1.276283   0.936394   0.081951   0.194488
     4  C    0.048785   0.049865   0.042720  -2.283354  -1.995318   0.088349
     5  C   -0.043062  -0.136937   0.193168   0.157474   0.985847  -1.228222
     6  C    0.001073   0.042907   0.074164   0.225798  -0.939484   0.843189
     7  C    0.000032  -0.000230  -0.707966   0.024793   0.026198  -0.695372
     8  C   -0.000040  -0.000099  -0.069695   0.005187   0.005387  -0.078458
     9  C    0.000016   0.000021  -0.030753  -0.000075  -0.000666   0.003314
    10  C    0.000004  -0.000013   0.005144  -0.000807  -0.000806  -0.022555
    11  C   -0.015276  -0.096613   0.034260  -0.638370  -0.447509   0.008211
    12  C    0.077959   0.004778  -0.000524  -0.031885   0.026449  -0.005561
    13  O    8.499690   0.017210   0.000559  -0.017001  -0.012079   0.000747
    14  O    0.017210   8.323547   0.000493  -0.005316  -0.047360   0.009278
    15  H    0.000559   0.000493   4.571363  -1.289494  -0.028470   0.102109
    16  H   -0.017001  -0.005316  -1.289494   4.441194   0.074165  -0.033377
    17  H   -0.012079  -0.047360  -0.028470   0.074165   3.804160  -1.093217
    18  H    0.000747   0.009278   0.102109  -0.033377  -1.093217   4.576487
    19  H    0.000001  -0.000011   0.024794  -0.000597   0.000231   0.008763
    20  H    0.000006   0.000001   0.022829  -0.001693  -0.000456   0.023174
    21  H   -0.000001   0.000001   0.014177  -0.000111  -0.000125   0.014186
    22  H   -0.000002  -0.000007   0.003262   0.002628  -0.000104   0.000843
    23  H    0.000001   0.000001  -0.001419   0.000006  -0.000008   0.000312
    24  H   -0.000000   0.000002   0.002895  -0.001078  -0.000015   0.001083
    25  H    0.000001   0.000007   0.001006  -0.000013  -0.001440   0.006239
    26  H   -0.000001  -0.000000   0.000131  -0.000003   0.000102  -0.003331
    27  H   -0.000015   0.000097   0.001648  -0.000071   0.001521   0.007959
    28  H   -0.047592   0.007624  -0.000560  -0.018031   0.024385  -0.000434
    29  C    0.006012   0.005111   0.001502  -0.037872   0.002145   0.002487
    30  H   -0.068136   0.133018  -0.000004   0.000324   0.005533  -0.000300
    31  H   -0.001156   0.034808   0.000157  -0.002798  -0.015802   0.001642
    32  H    0.003020  -0.022730   0.000028  -0.005196   0.002303  -0.000096
    33  H   -0.005229   0.007694  -0.000449   0.014202  -0.019622   0.000893
              19         20         21         22         23         24
     1  C    0.118935   0.038606   0.053041  -0.002685   0.006003   0.017770
     2  C   -0.100041  -0.061421   0.055529   0.043849   0.013335  -0.079518
     3  C    0.007381  -0.008281  -0.002334   0.010580  -0.000027  -0.006682
     4  C   -0.000412  -0.003118  -0.000165   0.001733   0.000308  -0.001008
     5  C    0.001141   0.007162  -0.002711   0.002395  -0.000603   0.000570
     6  C    0.020298   0.110880   0.053840  -0.003046   0.000491   0.003032
     7  C   -0.034114  -0.062243  -0.248717  -0.096180   0.041520  -0.100604
     8  C    0.064845   0.070436   0.241961   0.161334   0.197984   0.089707
     9  C   -0.001283   0.008813  -0.065279   0.081187   0.080869   0.281669
    10  C    0.005475  -0.000248  -0.061562  -0.013560  -0.016551   0.006503
    11  C   -0.000037  -0.000066   0.000000  -0.000140   0.000008  -0.000013
    12  C    0.000014  -0.000033   0.000002   0.000110   0.000000  -0.000014
    13  O    0.000001   0.000006  -0.000001  -0.000002   0.000001  -0.000000
    14  O   -0.000011   0.000001   0.000001  -0.000007   0.000001   0.000002
    15  H    0.024794   0.022829   0.014177   0.003262  -0.001419   0.002895
    16  H   -0.000597  -0.001693  -0.000111   0.002628   0.000006  -0.001078
    17  H    0.000231  -0.000456  -0.000125  -0.000104  -0.000008  -0.000015
    18  H    0.008763   0.023174   0.014186   0.000843   0.000312   0.001083
    19  H    1.150669  -0.319157  -0.018506   0.009332   0.000254  -0.011500
    20  H   -0.319157   1.120331  -0.017769  -0.019770  -0.006068   0.051926
    21  H   -0.018506  -0.017769   1.446939   0.010483   0.026718  -0.023356
    22  H    0.009332  -0.019770   0.010483   0.877261  -0.127124   0.016470
    23  H    0.000254  -0.006068   0.026718  -0.127124   1.236627  -0.219035
    24  H   -0.011500   0.051926  -0.023356   0.016470  -0.219035   1.047203
    25  H    0.051343  -0.011623  -0.021405  -0.002861   0.008855  -0.005542
    26  H   -0.006090   0.000658   0.024319  -0.028760   0.009647   0.009181
    27  H   -0.018201   0.008806   0.011246   0.041462  -0.028241  -0.003509
    28  H    0.000007  -0.000001   0.000000  -0.000007   0.000001  -0.000002
    29  C   -0.000012   0.000017  -0.000000   0.000000  -0.000000   0.000000
    30  H   -0.000000   0.000000   0.000000   0.000000  -0.000000   0.000000
    31  H    0.000001   0.000001  -0.000000  -0.000000   0.000000  -0.000000
    32  H    0.000000  -0.000000  -0.000000  -0.000000  -0.000000  -0.000000
    33  H   -0.000004  -0.000000  -0.000000   0.000000  -0.000000   0.000000
              25         26         27         28         29         30
     1  C    0.002852  -0.000708   0.000468   0.014846   0.003004  -0.000213
     2  C   -0.082233   0.014569   0.035389  -0.001426   0.003944  -0.000070
     3  C    0.000537  -0.000571   0.003059  -0.111157  -0.013329   0.002607
     4  C   -0.001099   0.000382   0.002060  -0.325069  -0.044591  -0.019269
     5  C   -0.007494   0.000915   0.002875   0.126425  -0.041614   0.012165
     6  C    0.023803   0.000763   0.015279   0.020613  -0.010409  -0.002753
     7  C   -0.107903   0.051066  -0.109096   0.000001  -0.000211   0.000000
     8  C    0.096847   0.190150   0.161431  -0.000011  -0.000020   0.000001
     9  C    0.006139  -0.015540  -0.013153  -0.000054   0.000005   0.000000
    10  C    0.272538   0.088154   0.077868   0.000020  -0.000003  -0.000002
    11  C    0.000003   0.000014  -0.000009   0.042465   0.346590   0.031739
    12  C   -0.000013  -0.000001   0.000077  -0.072866   0.052056   0.098236
    13  O    0.000001  -0.000001  -0.000015  -0.047592   0.006012  -0.068136
    14  O    0.000007  -0.000000   0.000097   0.007624   0.005111   0.133018
    15  H    0.001006   0.000131   0.001648  -0.000560   0.001502  -0.000004
    16  H   -0.000013  -0.000003  -0.000071  -0.018031  -0.037872   0.000324
    17  H   -0.001440   0.000102   0.001521   0.024385   0.002145   0.005533
    18  H    0.006239  -0.003331   0.007959  -0.000434   0.002487  -0.000300
    19  H    0.051343  -0.006090  -0.018201   0.000007  -0.000012  -0.000000
    20  H   -0.011623   0.000658   0.008806  -0.000001   0.000017   0.000000
    21  H   -0.021405   0.024319   0.011246   0.000000  -0.000000   0.000000
    22  H   -0.002861  -0.028760   0.041462  -0.000007   0.000000   0.000000
    23  H    0.008855   0.009647  -0.028241   0.000001  -0.000000  -0.000000
    24  H   -0.005542   0.009181  -0.003509  -0.000002   0.000000   0.000000
    25  H    1.042209  -0.222022   0.020261   0.000001   0.000000   0.000000
    26  H   -0.222022   1.255240  -0.130097  -0.000000  -0.000001   0.000000
    27  H    0.020261  -0.130097   0.873639  -0.000002   0.000000   0.000001
    28  H    0.000001  -0.000000  -0.000002   1.612698  -0.233449  -0.002924
    29  C    0.000000  -0.000001   0.000000  -0.233449   4.143701   0.006913
    30  H    0.000000   0.000000   0.000001  -0.002924   0.006913   0.745265
    31  H   -0.000001  -0.000000   0.000000  -0.004310   0.243193  -0.000010
    32  H   -0.000000   0.000000  -0.000000   0.007310   0.146429   0.002228
    33  H    0.000000  -0.000000  -0.000001   0.025562   0.122467  -0.000225
              31         32         33
     1  C    0.000802   0.000018  -0.001986
     2  C    0.001331  -0.000231   0.003166
     3  C   -0.011669  -0.019447   0.039257
     4  C    0.000152   0.000130  -0.047710
     5  C   -0.021782  -0.000564  -0.021071
     6  C    0.006581  -0.001432   0.001189
     7  C   -0.000009   0.000003  -0.000015
     8  C    0.000003   0.000000  -0.000000
     9  C   -0.000000  -0.000000   0.000001
    10  C   -0.000001  -0.000000  -0.000000
    11  C    0.128288   0.204169   0.159684
    12  C   -0.019595  -0.010950   0.022700
    13  O   -0.001156   0.003020  -0.005229
    14  O    0.034808  -0.022730   0.007694
    15  H    0.000157   0.000028  -0.000449
    16  H   -0.002798  -0.005196   0.014202
    17  H   -0.015802   0.002303  -0.019622
    18  H    0.001642  -0.000096   0.000893
    19  H    0.000001   0.000000  -0.000004
    20  H    0.000001  -0.000000  -0.000000
    21  H   -0.000000  -0.000000  -0.000000
    22  H   -0.000000  -0.000000   0.000000
    23  H    0.000000  -0.000000  -0.000000
    24  H   -0.000000  -0.000000   0.000000
    25  H   -0.000001  -0.000000   0.000000
    26  H   -0.000000   0.000000  -0.000000
    27  H    0.000000  -0.000000  -0.000001
    28  H   -0.004310   0.007310   0.025562
    29  C    0.243193   0.146429   0.122467
    30  H   -0.000010   0.002228  -0.000225
    31  H    0.787206  -0.018596  -0.009011
    32  H   -0.018596   0.853978  -0.074504
    33  H   -0.009011  -0.074504   0.836602
 Mulliken charges:
               1
     1  C   -0.327228
     2  C   -2.011454
     3  C   -0.440446
     4  C   -1.311546
     5  C   -0.156434
     6  C   -0.238823
     7  C    1.755505
     8  C   -1.640389
     9  C    1.181044
    10  C    1.180251
    11  C   -0.259770
    12  C    0.656007
    13  O   -0.408535
    14  O   -0.312664
    15  H    0.570830
    16  H    0.703321
    17  H    0.420948
    18  H    0.504741
    19  H    0.046479
    20  H    0.048300
    21  H   -0.490402
    22  H    0.031316
    23  H   -0.223865
    24  H   -0.076135
    25  H   -0.068995
    26  H   -0.238167
    27  H    0.037246
    28  H   -0.064062
    29  C    1.295935
    30  H    0.055876
    31  H   -0.099425
    32  H   -0.065869
    33  H   -0.053591
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.243602
     2  C   -2.011454
     3  C    0.262876
     4  C   -1.311546
     5  C    0.264515
     6  C    0.265917
     7  C    1.850284
     8  C   -2.130791
     9  C    0.912360
    10  C    0.910336
    11  C   -0.323832
    12  C    0.656007
    13  O   -0.408535
    14  O   -0.256788
    29  C    1.077049
 Electronic spatial extent (au):  <R**2>=           4253.2269
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.9107    Y=             -0.8079    Z=             -1.5949  Tot=              2.0065
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -88.5041   YY=            -91.9849   ZZ=            -94.3243
   XY=              1.6663   XZ=              5.5594   YZ=             -6.5324
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              3.1003   YY=             -0.3805   ZZ=             -2.7198
   XY=              1.6663   XZ=              5.5594   YZ=             -6.5324
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -16.5264  YYY=             28.2078  ZZZ=             -6.6432  XYY=            -18.2014
  XXY=             -3.9468  XXZ=            -20.8452  XZZ=              5.9638  YZZ=             -6.6139
  YYZ=             -6.0764  XYZ=             16.7117
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -4296.3813 YYYY=           -737.9287 ZZZZ=           -647.8633 XXXY=            -26.6933
 XXXZ=             65.3506 YYYX=            -78.2789 YYYZ=            -27.4216 ZZZX=              5.9052
 ZZZY=            -21.8276 XXYY=           -811.1249 XXZZ=           -885.7494 YYZZ=           -247.0928
 XXYZ=            -60.2366 YYXZ=             43.1966 ZZXY=              4.3166
 N-N= 9.839090412237D+02 E-N=-3.490547755782D+03  KE= 6.490964175793D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep  8 13:36:00 2021, MaxMem=  6442450944 cpu:               4.0 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.39577811D-01-2.87272771D-01-6.13776507D-01
 Polarizability= 1.98599416D+02-1.02311466D+00 1.29438191D+02
                -5.60187804D-01-6.77632298D+00 1.47115336D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.3930    0.3965       -0.9088   -0.9068
 2     -0.3930   -0.3965        3.4429    3.4465      -38.3475  -38.3485
 3      0.9088    0.9068       29.1068   29.1098       -3.4458   -3.4465
 4     -3.4429   -3.4465        0.0000    0.0000        0.9066    0.9068
 5      9.2407    9.2386       -0.9066   -0.9068        0.3958    0.3965
 6      3.4458    3.4465       -0.3958   -0.3965       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.1894   -1.1894       -2.7203   -2.7203
 2    -10.3395  -10.3395        0.0000    0.0000       -2.7203   -2.7203
 3    -10.3395  -10.3395       -1.1894   -1.1894       -0.0000    0.0000
 4     -1.1894   -1.1894       10.3395   10.3395     -115.0454 -115.0454
 5      2.7203    2.7203       87.3295   87.3295      -10.3395  -10.3395
 6     27.7159   27.7159       -2.7203   -2.7203        1.1894    1.1894
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1948    0.0000       -1.6135   -1.5859        3.4791    3.6271
 2      1.5166    1.5859      -13.8862  -13.7860      153.5056  153.3939
 3     -3.6426   -3.6271     -116.4303 -116.4394       13.8642   13.7860
 4     13.8788   13.7860       -0.0179    0.0000       -3.7879   -3.6271
 5    -36.8737  -36.9545        3.6032    3.6271       -1.7592   -1.5859
 6    -13.7675  -13.7860        1.6067    1.5859       -0.0638    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1146    0.0000     -106.1510 -105.7813       -2.5712   -2.8068
 2    105.5509  105.7813       11.8887   11.7217        8.7711    8.8047
 3      2.7872    2.8068       32.8877   32.8861      -11.3296  -11.7217
 4    -11.7939  -11.7217        0.1230    0.0000        2.8045    2.8068
 5    -41.9204  -41.6909       -2.8400   -2.8068     -105.9559 -105.7813
 6     11.6951   11.7217      105.8701  105.7813       -0.1484    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -17.0829  -17.0045       -3.7869   -3.5843      -19.0197  -19.0664
 2    -31.9352  -31.8581      -82.9138  -82.7590      -18.9644  -19.0664
 3    -31.9400  -31.8581       -3.7190   -3.5843      -19.1693  -19.2313
 4     79.0177   79.1748       14.9072   14.8537       22.6476   22.4633
 5     -0.0831   -0.1649       37.9297   37.9093      -14.8070  -14.8537
 6    -60.5473  -60.3726        0.1109    0.1649      -79.4099  -79.1748
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0002    0.0006    0.0007    2.7454    3.6231    7.2845
 Low frequencies ---   21.9162   38.6948   48.0069
 Diagonal vibrational polarizability:
       34.3937459      29.8762995      10.2499969
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     21.8979                38.6888                48.0036
 Red. masses --      3.9123                 7.5997                 3.5819
 Frc consts  --      0.0011                 0.0067                 0.0049
 IR Inten    --      0.4615                 0.8274                 0.2989
 RamAct Fr= 1--      0.6825                 1.2540                 0.9125
  Dep-P Fr= 1--      0.7449                 0.6978                 0.7437
  Dep-U Fr= 1--      0.8538                 0.8220                 0.8530
 Alpha2 Fr= 1--      0.0001                 0.0011                 0.0001
 Beta2  Fr= 1--      0.0971                 0.1718                 0.1297
 AlphaG Fr= 1--     -0.0011                 0.0076                -0.0019
 Gamma2 Fr= 1--     -0.0585                -0.2597                -0.3577
 Delta2 Fr= 1--     -0.2650                 0.2024                -0.2302
 Raman1 Fr= 1--       2.730                  5.016                  3.650
 ROA1   Fr= 1--     -14.092                -18.453                -41.705
 CID1   Fr= 1--      -5.162                 -3.679                -11.426
 Raman2 Fr= 1--       1.165                  2.062                  1.557
 ROA2   Fr= 1--       0.717                 -7.852                 -6.744
 CID2   Fr= 1--       0.615                 -3.809                 -4.332
 Raman3 Fr= 1--       2.331                  4.123                  3.114
 ROA3   Fr= 1--     -14.092                -18.453                -41.705
 CID3   Fr= 1--      -6.046                 -4.476                -13.395
 RC180  Fr= 1--       0.708                  0.644                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03   0.05    -0.01  -0.06  -0.02     0.02   0.09   0.01
     2   6     0.00  -0.03   0.05    -0.01  -0.06  -0.02     0.00  -0.02  -0.03
     3   6    -0.03   0.02   0.01    -0.01  -0.08  -0.03     0.02   0.09   0.02
     4   6    -0.01  -0.05  -0.04    -0.01  -0.10  -0.04     0.00  -0.02  -0.01
     5   6     0.02  -0.10  -0.04    -0.01  -0.12  -0.04    -0.02  -0.14  -0.05
     6   6     0.02  -0.10   0.00    -0.01  -0.10  -0.04    -0.02  -0.13  -0.06
     7   6     0.01  -0.02   0.09    -0.00   0.04   0.01     0.00   0.02  -0.05
     8   6    -0.03   0.03  -0.00    -0.11   0.10   0.06    -0.03   0.03  -0.02
     9   6    -0.10   0.18  -0.05    -0.16   0.06   0.06     0.11  -0.10   0.03
    10   6    -0.01  -0.06  -0.14    -0.20   0.09   0.08    -0.20   0.09   0.13
    11   6    -0.01  -0.03  -0.07    -0.00  -0.01  -0.02     0.01   0.01   0.02
    12   6     0.03  -0.02   0.06     0.16   0.03  -0.01     0.03   0.01  -0.01
    13   8    -0.02  -0.12   0.11     0.51   0.12  -0.00    -0.11  -0.00  -0.02
    14   8     0.15   0.12   0.11    -0.08  -0.03  -0.02     0.20   0.04  -0.01
    15   1    -0.04   0.08   0.09    -0.01  -0.04  -0.01     0.04   0.17   0.03
    16   1    -0.05   0.07   0.01    -0.01  -0.07  -0.02     0.04   0.17   0.05
    17   1     0.04  -0.15  -0.07    -0.02  -0.14  -0.05    -0.03  -0.22  -0.08
    18   1     0.04  -0.15  -0.00    -0.01  -0.11  -0.04    -0.04  -0.21  -0.09
    19   1     0.04  -0.11   0.12     0.04   0.08   0.02    -0.01   0.06  -0.06
    20   1     0.01   0.05   0.18     0.05   0.07   0.01     0.03   0.01  -0.08
    21   1    -0.02   0.03   0.06    -0.09   0.19   0.06    -0.04   0.11  -0.15
    22   1    -0.11   0.18  -0.12    -0.18  -0.03   0.06     0.13  -0.17   0.16
    23   1    -0.12   0.21  -0.10    -0.23   0.10   0.09     0.10  -0.09   0.03
    24   1    -0.11   0.24   0.05    -0.10   0.07   0.05     0.23  -0.14  -0.08
    25   1     0.04  -0.17  -0.11    -0.17   0.13   0.08    -0.30   0.19   0.09
    26   1    -0.03  -0.03  -0.20    -0.27   0.14   0.11    -0.23   0.11   0.13
    27   1    -0.02  -0.06  -0.21    -0.22   0.00   0.08    -0.20   0.01   0.27
    28   1    -0.05  -0.12  -0.11    -0.01   0.01  -0.01     0.02   0.03   0.02
    29   6    -0.02   0.10  -0.16    -0.08   0.04  -0.00    -0.04   0.02   0.04
    30   1     0.18   0.11   0.19     0.08   0.01  -0.02     0.19   0.04  -0.03
    31   1    -0.01   0.20  -0.12    -0.06   0.01  -0.01    -0.06   0.01   0.04
    32   1    -0.02   0.11  -0.16    -0.07   0.13   0.01    -0.03   0.04   0.08
    33   1    -0.05   0.09  -0.27    -0.16   0.02   0.01    -0.05   0.01   0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --     60.6395                91.0160               116.7064
 Red. masses --      4.3923                 2.8783                 4.4344
 Frc consts  --      0.0095                 0.0140                 0.0356
 IR Inten    --      0.2323                 0.0469                 0.0204
 RamAct Fr= 1--      3.1039                 1.9460                 3.1886
  Dep-P Fr= 1--      0.7381                 0.7487                 0.6896
  Dep-U Fr= 1--      0.8493                 0.8563                 0.8163
 Alpha2 Fr= 1--      0.0006                 0.0000                 0.0034
 Beta2  Fr= 1--      0.4394                 0.2777                 0.4338
 AlphaG Fr= 1--     -0.0020                 0.0009                 0.0001
 Gamma2 Fr= 1--      0.4535                 0.4485                -0.4960
 Delta2 Fr= 1--      0.3268                 0.1473                -0.0447
 Raman1 Fr= 1--      12.416                  7.784                 12.754
 ROA1   Fr= 1--      53.994                 47.772                -49.042
 CID1   Fr= 1--       4.349                  6.137                 -3.845
 Raman2 Fr= 1--       5.273                  3.333                  5.206
 ROA2   Fr= 1--       8.270                  9.587                -11.545
 CID2   Fr= 1--       1.568                  2.877                 -2.218
 Raman3 Fr= 1--      10.545                  6.665                 10.412
 ROA3   Fr= 1--      53.994                 47.772                -49.042
 CID3   Fr= 1--       5.120                  7.167                 -4.710
 RC180  Fr= 1--       0.699                  0.713                  0.633
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.20  -0.07     0.03   0.11  -0.04    -0.07   0.03   0.02
     2   6     0.02  -0.06  -0.04    -0.00   0.03  -0.08    -0.07   0.13   0.04
     3   6     0.03  -0.18  -0.04     0.04   0.11  -0.02    -0.09  -0.09  -0.01
     4   6     0.03  -0.02   0.03     0.00   0.00  -0.03    -0.10  -0.12  -0.01
     5   6     0.02   0.07   0.05    -0.03  -0.09  -0.08    -0.10  -0.02   0.02
     6   6     0.01   0.05   0.01    -0.03  -0.07  -0.10    -0.09   0.11   0.05
     7   6     0.02   0.01  -0.03     0.00   0.03  -0.07    -0.07   0.10   0.01
     8   6    -0.07   0.05   0.01     0.02  -0.02   0.07     0.06   0.02  -0.01
     9   6    -0.22   0.06  -0.00    -0.17  -0.03   0.06     0.15   0.03  -0.01
    10   6    -0.04   0.02  -0.03     0.20   0.01   0.04     0.18   0.06  -0.01
    11   6     0.04   0.04   0.08     0.01  -0.00   0.03    -0.10  -0.09   0.00
    12   6     0.04   0.04  -0.01     0.00  -0.01   0.03     0.06  -0.05  -0.02
    13   8    -0.12   0.06  -0.06    -0.01  -0.01   0.03     0.10  -0.01  -0.04
    14   8     0.24   0.02  -0.04     0.00  -0.01   0.03     0.20  -0.04  -0.03
    15   1     0.03  -0.30  -0.12     0.05   0.18  -0.03    -0.06   0.04   0.01
    16   1     0.04  -0.27  -0.06     0.07   0.18   0.02    -0.08  -0.16  -0.02
    17   1     0.01   0.18   0.10    -0.06  -0.17  -0.09    -0.11  -0.03   0.03
    18   1     0.00   0.14   0.04    -0.06  -0.13  -0.13    -0.09   0.18   0.07
    19   1     0.05   0.05  -0.04     0.02   0.13  -0.09    -0.12   0.09  -0.00
    20   1     0.05   0.02  -0.05    -0.03  -0.04  -0.14    -0.10   0.06  -0.02
    21   1    -0.04   0.09   0.11     0.03  -0.07   0.22     0.03  -0.10  -0.05
    22   1    -0.25   0.02  -0.10    -0.18   0.07  -0.09     0.19   0.13   0.03
    23   1    -0.27   0.09   0.04    -0.12  -0.11   0.17     0.25  -0.03  -0.03
    24   1    -0.24   0.09   0.04    -0.36  -0.08   0.10     0.10   0.00  -0.02
    25   1     0.06   0.01  -0.02     0.40   0.03   0.05     0.14   0.04  -0.01
    26   1    -0.09   0.05   0.01     0.17  -0.00   0.18     0.27  -0.00  -0.02
    27   1    -0.06  -0.01  -0.13     0.17   0.02  -0.15     0.21   0.17  -0.00
    28   1     0.06   0.11   0.11     0.06   0.01   0.04    -0.11  -0.06   0.01
    29   6    -0.01  -0.01   0.15    -0.04  -0.02   0.09    -0.18  -0.04   0.02
    30   1     0.20   0.02  -0.10    -0.01  -0.01   0.02     0.32  -0.01  -0.06
    31   1    -0.01  -0.08   0.13    -0.11  -0.04   0.07    -0.15  -0.08   0.01
    32   1    -0.00   0.04   0.17    -0.03  -0.03   0.15    -0.17   0.07   0.03
    33   1    -0.04  -0.01   0.22    -0.03  -0.02   0.08    -0.28  -0.06   0.04
                      7                      8                      9
                      A                      A                      A
 Frequencies --    162.9938               199.9986               232.8944
 Red. masses --      3.7665                 3.0282                 1.1623
 Frc consts  --      0.0590                 0.0714                 0.0371
 IR Inten    --      0.1605                 0.0179                 0.0103
 RamAct Fr= 1--      0.7133                 0.2642                 0.2588
  Dep-P Fr= 1--      0.1365                 0.3049                 0.7468
  Dep-U Fr= 1--      0.2402                 0.4673                 0.8551
 Alpha2 Fr= 1--      0.0114                 0.0027                 0.0000
 Beta2  Fr= 1--      0.0286                 0.0206                 0.0369
 AlphaG Fr= 1--     -0.0054                -0.0061                -0.0003
 Gamma2 Fr= 1--     -0.1614                 0.4705                 0.3116
 Delta2 Fr= 1--     -0.1439                 0.3036                 0.1412
 Raman1 Fr= 1--       2.853                  1.057                  1.035
 ROA1   Fr= 1--     -20.101                 54.883                 34.429
 CID1   Fr= 1--      -7.045                 51.924                 33.260
 Raman2 Fr= 1--       0.343                  0.247                  0.443
 ROA2   Fr= 1--      -2.722                  8.863                  6.348
 CID2   Fr= 1--      -7.945                 35.885                 14.345
 Raman3 Fr= 1--       0.685                  0.494                  0.885
 ROA3   Fr= 1--     -20.101                 54.883                 34.429
 CID3   Fr= 1--     -29.333                111.110                 38.897
 RC180  Fr= 1--      -0.520                 -0.065                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.09   0.06     0.04  -0.08   0.04     0.01   0.04   0.00
     2   6    -0.05   0.03   0.01     0.01  -0.05   0.02     0.01   0.02  -0.00
     3   6     0.02   0.10   0.12     0.03  -0.09   0.08     0.01   0.03  -0.00
     4   6    -0.00   0.05   0.11     0.00  -0.07   0.11     0.01  -0.00  -0.01
     5   6    -0.05   0.08   0.10    -0.02  -0.13   0.08     0.02   0.03  -0.00
     6   6    -0.07   0.08   0.05    -0.03  -0.11   0.04     0.02   0.04  -0.00
     7   6    -0.08  -0.02  -0.10     0.01   0.06  -0.08     0.01  -0.02   0.00
     8   6    -0.07  -0.04  -0.05     0.02   0.05  -0.04    -0.00  -0.01   0.00
     9   6    -0.14  -0.10  -0.04     0.01  -0.01  -0.03    -0.02  -0.02   0.00
    10   6    -0.05  -0.01  -0.02     0.09   0.11  -0.00    -0.03  -0.03  -0.00
    11   6    -0.02  -0.05   0.01    -0.01   0.02   0.03     0.01  -0.01  -0.01
    12   6     0.04  -0.04  -0.01    -0.02   0.03   0.00     0.01  -0.02   0.00
    13   8     0.09  -0.01  -0.02    -0.07   0.06  -0.03    -0.00  -0.03   0.01
    14   8     0.13  -0.04  -0.02    -0.07  -0.02  -0.02     0.00  -0.02   0.00
    15   1     0.04   0.10   0.03     0.06  -0.07   0.02     0.01   0.05   0.00
    16   1     0.04   0.12   0.13     0.07  -0.10   0.10     0.01   0.04  -0.00
    17   1    -0.09   0.08   0.13    -0.04  -0.15   0.09     0.02   0.04  -0.00
    18   1    -0.10   0.07   0.04    -0.07  -0.12   0.02     0.02   0.05   0.00
    19   1    -0.15   0.05  -0.13    -0.06   0.15  -0.12     0.01  -0.02   0.00
    20   1    -0.05  -0.06  -0.17     0.10   0.03  -0.18    -0.01  -0.02   0.01
    21   1    -0.07  -0.04  -0.02     0.02   0.03  -0.04     0.00   0.00   0.01
    22   1    -0.13  -0.04  -0.09     0.03   0.09  -0.06    -0.04  -0.06  -0.00
    23   1    -0.09  -0.16   0.04     0.10  -0.09   0.03    -0.07   0.01   0.00
    24   1    -0.24  -0.16  -0.06    -0.10  -0.07  -0.07     0.01  -0.00   0.00
    25   1     0.01   0.04  -0.02     0.23   0.20  -0.00    -0.05  -0.05  -0.00
    26   1    -0.07  -0.01   0.05     0.04   0.11   0.15    -0.03  -0.02  -0.03
    27   1    -0.06  -0.03  -0.05     0.06   0.07  -0.11    -0.03  -0.04   0.02
    28   1    -0.11  -0.09  -0.02    -0.13  -0.01  -0.01     0.01  -0.01  -0.01
    29   6     0.18  -0.06  -0.14     0.03   0.15  -0.12    -0.04   0.01   0.01
    30   1     0.24  -0.01  -0.04    -0.13  -0.03  -0.05    -0.02  -0.03  -0.00
    31   1     0.27   0.02  -0.09     0.30   0.12  -0.08     0.37  -0.35  -0.04
    32   1     0.15  -0.19  -0.27     0.01   0.37  -0.34    -0.06   0.49  -0.30
    33   1     0.29  -0.04  -0.17    -0.18   0.10  -0.06    -0.46  -0.08   0.38
                     10                     11                     12
                      A                      A                      A
 Frequencies --    248.2536               255.2333               269.0494
 Red. masses --      1.0957                 2.4751                 1.0826
 Frc consts  --      0.0398                 0.0950                 0.0462
 IR Inten    --      0.0150                 0.1219                 0.4622
 RamAct Fr= 1--      0.2345                 0.8664                 0.6304
  Dep-P Fr= 1--      0.7450                 0.7500                 0.1407
  Dep-U Fr= 1--      0.8539                 0.8571                 0.2466
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0100
 Beta2  Fr= 1--      0.0334                 0.1238                 0.0259
 AlphaG Fr= 1--     -0.0015                -0.0000                 0.0033
 Gamma2 Fr= 1--     -0.2159                 0.2042                 0.0184
 Delta2 Fr= 1--     -0.0380                 0.1882                -0.0343
 Raman1 Fr= 1--       0.938                  3.466                  2.522
 ROA1   Fr= 1--     -21.941                 25.628                  0.669
 CID1   Fr= 1--     -23.393                  7.395                  0.265
 Raman2 Fr= 1--       0.400                  1.485                  0.311
 ROA2   Fr= 1--      -4.877                  3.395                  0.716
 CID2   Fr= 1--     -12.179                  2.286                  2.302
 Raman3 Fr= 1--       0.801                  2.971                  0.622
 ROA3   Fr= 1--     -21.941                 25.628                  0.669
 CID3   Fr= 1--     -27.396                  8.627                  1.076
 RC180  Fr= 1--       0.708                  0.714                 -0.507
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.01    -0.05  -0.06  -0.02     0.01   0.00  -0.01
     2   6     0.01  -0.00   0.02    -0.05  -0.04  -0.02     0.00  -0.00  -0.01
     3   6    -0.01  -0.00  -0.01    -0.04  -0.03  -0.01     0.01   0.00  -0.00
     4   6     0.00   0.00  -0.02    -0.02   0.02   0.00     0.01  -0.00  -0.00
     5   6     0.02   0.02  -0.01    -0.04  -0.04  -0.02     0.01   0.00  -0.00
     6   6     0.02   0.01   0.01    -0.05  -0.08  -0.03     0.01   0.00  -0.01
     7   6     0.00  -0.01   0.01    -0.04   0.02   0.01    -0.00  -0.01   0.00
     8   6    -0.00   0.00  -0.01    -0.02   0.02   0.01    -0.01  -0.01   0.01
     9   6     0.03   0.00  -0.01     0.05   0.05   0.01    -0.02   0.02  -0.00
    10   6    -0.04  -0.01  -0.01     0.04   0.04   0.02    -0.02  -0.00   0.02
    11   6     0.00   0.00  -0.01    -0.01   0.04  -0.02     0.02  -0.00   0.01
    12   6     0.00  -0.00  -0.01    -0.02   0.05  -0.02     0.01  -0.01   0.01
    13   8     0.01  -0.02   0.00     0.02  -0.01   0.02    -0.01   0.00  -0.00
    14   8    -0.00   0.02   0.00    -0.00   0.16   0.03     0.00  -0.04  -0.00
    15   1    -0.02   0.00   0.02    -0.05  -0.08  -0.03     0.02   0.00  -0.01
    16   1    -0.02  -0.01  -0.02    -0.05  -0.03  -0.02     0.02   0.00  -0.00
    17   1     0.03   0.03  -0.01    -0.04  -0.04  -0.02     0.01   0.01  -0.00
    18   1     0.03   0.01   0.02    -0.04  -0.10  -0.04     0.01   0.01  -0.01
    19   1    -0.01  -0.02   0.01    -0.02   0.02   0.02     0.01  -0.01   0.00
    20   1     0.01   0.00   0.02    -0.03   0.03   0.02    -0.01  -0.01   0.01
    21   1    -0.00   0.01  -0.03    -0.03  -0.03  -0.01    -0.01  -0.01   0.00
    22   1     0.11   0.38  -0.07     0.08   0.20   0.02     0.06   0.43  -0.11
    23   1     0.34  -0.24   0.06     0.17  -0.03  -0.02     0.30  -0.23   0.07
    24   1    -0.33  -0.13  -0.02    -0.06   0.02   0.02    -0.41  -0.10   0.03
    25   1     0.33   0.13   0.01    -0.06   0.02   0.01    -0.40  -0.11   0.00
    26   1    -0.34   0.13   0.26     0.16  -0.03  -0.04     0.23  -0.12  -0.24
    27   1    -0.16  -0.30  -0.27     0.09   0.16   0.09     0.08   0.23   0.31
    28   1     0.02   0.01  -0.01    -0.03   0.10  -0.00     0.02  -0.02   0.00
    29   6    -0.02  -0.02   0.02     0.15  -0.17   0.02    -0.01   0.04  -0.00
    30   1    -0.00   0.01   0.02     0.02   0.15   0.11    -0.01  -0.04  -0.03
    31   1    -0.03  -0.05   0.00     0.40  -0.46  -0.04    -0.02   0.07   0.01
    32   1    -0.02   0.00   0.03     0.11  -0.11  -0.24    -0.00   0.05   0.02
    33   1    -0.03  -0.02   0.04     0.13  -0.16   0.37    -0.02   0.03  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    283.3657               335.0054               359.1586
 Red. masses --      3.3458                 3.7323                 3.0804
 Frc consts  --      0.1583                 0.2468                 0.2341
 IR Inten    --      0.2211                 0.9197                 0.4476
 RamAct Fr= 1--      0.7199                 1.7164                 2.1584
  Dep-P Fr= 1--      0.7107                 0.7496                 0.3973
  Dep-U Fr= 1--      0.8309                 0.8569                 0.5687
 Alpha2 Fr= 1--      0.0005                 0.0000                 0.0161
 Beta2  Fr= 1--      0.0997                 0.2451                 0.2046
 AlphaG Fr= 1--     -0.0001                 0.0002                 0.0062
 Gamma2 Fr= 1--     -0.6354                -0.0901                 0.9438
 Delta2 Fr= 1--     -0.0144                -0.7858                 0.5712
 Raman1 Fr= 1--       2.879                  6.866                  8.633
 ROA1   Fr= 1--     -61.457                -33.791                108.883
 CID1   Fr= 1--     -21.344                 -4.922                 12.612
 Raman2 Fr= 1--       1.196                  2.942                  2.455
 ROA2   Fr= 1--     -15.134                  4.124                 18.081
 CID2   Fr= 1--     -12.651                  1.402                  7.365
 Raman3 Fr= 1--       2.392                  5.883                  4.910
 ROA3   Fr= 1--     -61.457                -33.791                108.883
 CID3   Fr= 1--     -25.688                 -5.744                 22.177
 RC180  Fr= 1--       0.662                  0.714                  0.137
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.13     0.11   0.08  -0.03     0.04  -0.04  -0.03
     2   6     0.05  -0.02   0.14     0.04   0.14  -0.04     0.01  -0.14  -0.07
     3   6    -0.02   0.01   0.03     0.10  -0.10   0.05     0.05   0.09   0.07
     4   6     0.02  -0.03  -0.02     0.01  -0.15   0.08    -0.00   0.05   0.08
     5   6     0.09  -0.01   0.02    -0.05  -0.10   0.07    -0.01   0.09   0.10
     6   6     0.10   0.00   0.12    -0.04   0.10   0.00    -0.03  -0.04  -0.00
     7   6     0.03   0.00  -0.05     0.04   0.06  -0.05     0.02  -0.08  -0.09
     8   6     0.00   0.03  -0.11     0.05  -0.02   0.08     0.01  -0.07   0.02
     9   6    -0.11  -0.13  -0.09     0.00  -0.00   0.08     0.03   0.17  -0.03
    10   6     0.03   0.11  -0.02    -0.08  -0.17  -0.04     0.02   0.00   0.13
    11   6     0.00   0.00  -0.09    -0.00  -0.01  -0.03    -0.04  -0.03  -0.04
    12   6     0.00   0.01  -0.08     0.01   0.04  -0.09    -0.02  -0.03  -0.07
    13   8     0.02  -0.08  -0.01    -0.01  -0.03  -0.04     0.04  -0.09  -0.02
    14   8    -0.04   0.14  -0.02    -0.06   0.18  -0.02    -0.01   0.06  -0.04
    15   1    -0.05   0.02   0.18     0.19   0.11  -0.07     0.07  -0.03  -0.04
    16   1    -0.08   0.03   0.02     0.18  -0.16   0.07     0.11   0.15   0.12
    17   1     0.14  -0.01  -0.02    -0.12  -0.15   0.11    -0.02   0.17   0.14
    18   1     0.16   0.01   0.15    -0.13   0.16  -0.02    -0.07  -0.02  -0.02
    19   1    -0.13   0.00  -0.08     0.03   0.20  -0.09     0.03   0.07  -0.13
    20   1     0.15   0.03  -0.10    -0.04  -0.07  -0.17     0.06  -0.15  -0.20
    21   1     0.01   0.06  -0.09     0.06   0.02   0.10     0.01  -0.08   0.02
    22   1    -0.14  -0.19  -0.17     0.00   0.03   0.05     0.03   0.22  -0.08
    23   1    -0.16  -0.14   0.09     0.02  -0.02   0.10     0.01   0.25  -0.29
    24   1    -0.16  -0.21  -0.17    -0.04  -0.01   0.09     0.08   0.35   0.18
    25   1    -0.15   0.15  -0.05    -0.16  -0.37  -0.01     0.00   0.17   0.09
    26   1     0.20   0.01  -0.06    -0.16  -0.06  -0.27     0.02  -0.03   0.26
    27   1     0.10   0.26   0.14    -0.10  -0.25  -0.01     0.02  -0.01   0.20
    28   1     0.01   0.08  -0.06    -0.11   0.09  -0.01    -0.09   0.01  -0.04
    29   6    -0.10  -0.07   0.05    -0.02  -0.03  -0.00    -0.12  -0.01  -0.01
    30   1    -0.07   0.12   0.11    -0.13   0.14   0.14     0.06   0.06   0.05
    31   1    -0.26  -0.13   0.00    -0.10  -0.00  -0.01    -0.19  -0.02  -0.03
    32   1    -0.08  -0.07   0.22    -0.01  -0.08   0.07    -0.09   0.04   0.09
    33   1    -0.08  -0.06   0.08     0.03  -0.02  -0.04    -0.17  -0.03  -0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    391.9542               406.6735               409.7655
 Red. masses --      2.5316                 2.8265                 2.4905
 Frc consts  --      0.2292                 0.2754                 0.2464
 IR Inten    --      0.7566                 0.5987                 0.7956
 RamAct Fr= 1--      2.4149                 4.7953                 1.3786
  Dep-P Fr= 1--      0.2730                 0.1008                 0.2171
  Dep-U Fr= 1--      0.4289                 0.1832                 0.3567
 Alpha2 Fr= 1--      0.0268                 0.0838                 0.0179
 Beta2  Fr= 1--      0.1726                 0.1464                 0.0820
 AlphaG Fr= 1--      0.0119                 0.0045                 0.0171
 Gamma2 Fr= 1--     -0.0448                -0.3265                 1.1647
 Delta2 Fr= 1--     -0.1219                -0.2987                 0.3300
 Raman1 Fr= 1--       9.659                 19.181                  5.515
 ROA1   Fr= 1--      -8.201                -40.898                122.374
 CID1   Fr= 1--      -0.849                 -2.132                 22.191
 Raman2 Fr= 1--       2.071                  1.757                  0.984
 ROA2   Fr= 1--      -0.099                 -5.446                 25.314
 CID2   Fr= 1--      -0.048                 -3.100                 25.737
 Raman3 Fr= 1--       4.143                  3.514                  1.967
 ROA3   Fr= 1--      -8.201                -40.898                122.374
 CID3   Fr= 1--      -1.980                -11.639                 62.210
 RC180  Fr= 1--      -0.142                 -0.634                 -0.287
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.01     0.03  -0.01  -0.10     0.01  -0.05  -0.06
     2   6    -0.01   0.10   0.02     0.09  -0.02  -0.08    -0.06   0.00  -0.07
     3   6    -0.00  -0.07  -0.02     0.03   0.05   0.00     0.05   0.05   0.08
     4   6     0.00  -0.09  -0.04    -0.07   0.01   0.06     0.05  -0.02   0.06
     5   6    -0.01  -0.09  -0.04    -0.02  -0.02   0.06    -0.04  -0.04   0.01
     6   6     0.01   0.09   0.01     0.00   0.01  -0.01    -0.05   0.07  -0.05
     7   6    -0.02  -0.08   0.03     0.16  -0.04   0.10    -0.06  -0.04   0.13
     8   6     0.06  -0.12  -0.07     0.10   0.05  -0.04    -0.09   0.02  -0.03
     9   6    -0.05   0.06  -0.14    -0.03  -0.06  -0.03     0.00  -0.04  -0.01
    10   6    -0.01   0.01   0.15    -0.00   0.04  -0.01     0.03   0.07  -0.03
    11   6     0.03   0.01   0.02    -0.15  -0.04   0.01     0.08   0.01   0.00
    12   6     0.02   0.03   0.02    -0.10   0.01   0.03     0.07  -0.02  -0.07
    13   8    -0.03   0.05  -0.00     0.00   0.10   0.00     0.01  -0.12  -0.03
    14   8    -0.01   0.01   0.02     0.01   0.02   0.03    -0.02   0.04  -0.04
    15   1     0.02   0.08   0.00     0.02  -0.03  -0.10     0.09  -0.10  -0.14
    16   1    -0.01  -0.09  -0.04     0.14   0.06   0.06     0.09   0.12   0.12
    17   1    -0.03  -0.14  -0.05    -0.01  -0.02   0.05    -0.12  -0.10   0.06
    18   1     0.02   0.13   0.02    -0.10   0.07  -0.04    -0.07   0.15  -0.04
    19   1    -0.04  -0.24   0.06     0.32  -0.34   0.20     0.13  -0.38   0.26
    20   1    -0.13  -0.05   0.14     0.06   0.14   0.40    -0.18   0.16   0.48
    21   1     0.06  -0.12  -0.07     0.12   0.12  -0.02    -0.10  -0.02  -0.05
    22   1    -0.10   0.06  -0.33    -0.06  -0.07  -0.14     0.03  -0.04   0.10
    23   1    -0.15   0.16  -0.25    -0.05  -0.10   0.16     0.05  -0.09   0.02
    24   1    -0.09   0.21   0.07    -0.14  -0.14  -0.08     0.03  -0.11  -0.10
    25   1    -0.05   0.32   0.08    -0.06   0.07  -0.02     0.12   0.12  -0.02
    26   1    -0.06  -0.02   0.38    -0.03   0.07  -0.03     0.09   0.01   0.08
    27   1    -0.01  -0.10   0.30    -0.00  -0.02   0.07     0.04   0.16  -0.12
    28   1     0.03   0.01   0.02    -0.18  -0.08  -0.01     0.03   0.08   0.02
    29   6     0.06   0.00   0.01    -0.07  -0.09  -0.07     0.02   0.07   0.04
    30   1    -0.09  -0.01   0.01     0.25   0.08   0.02    -0.17  -0.00   0.03
    31   1     0.08   0.02   0.02    -0.01  -0.09  -0.06    -0.05   0.10   0.04
    32   1     0.05  -0.04  -0.03    -0.09  -0.15  -0.15     0.04   0.13   0.12
    33   1     0.10   0.02   0.01    -0.02  -0.08  -0.04    -0.04   0.05  -0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --    423.5012               490.3380               559.2527
 Red. masses --      2.8423                 3.4755                 2.6828
 Frc consts  --      0.3004                 0.4923                 0.4944
 IR Inten    --      0.0991                 3.5355                20.3893
 RamAct Fr= 1--      0.0782                 0.9737                 0.1317
  Dep-P Fr= 1--      0.3576                 0.2025                 0.6546
  Dep-U Fr= 1--      0.5269                 0.3369                 0.7912
 Alpha2 Fr= 1--      0.0007                 0.0131                 0.0002
 Beta2  Fr= 1--      0.0069                 0.0547                 0.0174
 AlphaG Fr= 1--     -0.0106                 0.0007                -0.0006
 Gamma2 Fr= 1--     -0.2008                 0.0814                 0.0722
 Delta2 Fr= 1--     -0.0778                 0.0068                 0.0188
 Raman1 Fr= 1--       0.313                  3.895                  0.527
 ROA1   Fr= 1--     -21.761                  8.036                  7.535
 CID1   Fr= 1--     -69.586                  2.063                 14.300
 Raman2 Fr= 1--       0.082                  0.656                  0.208
 ROA2   Fr= 1--      -4.196                  1.900                  1.583
 CID2   Fr= 1--     -50.930                  2.897                  7.593
 Raman3 Fr= 1--       0.165                  1.312                  0.417
 ROA3   Fr= 1--     -21.761                  8.036                  7.535
 CID3   Fr= 1--    -132.076                  6.125                 18.072
 RC180  Fr= 1--       0.054                 -0.326                  0.582
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.20   0.04    -0.07  -0.07  -0.03     0.07  -0.06   0.00
     2   6    -0.01   0.01  -0.03     0.00   0.11   0.04    -0.01   0.17   0.05
     3   6    -0.00  -0.19  -0.04    -0.07   0.00  -0.00     0.08  -0.04   0.04
     4   6     0.01  -0.01   0.03    -0.03   0.18   0.06     0.10   0.16   0.07
     5   6     0.01   0.18   0.08    -0.06  -0.00   0.01     0.06  -0.02  -0.01
     6   6    -0.04  -0.17  -0.09    -0.06  -0.08  -0.01     0.04  -0.03  -0.05
     7   6    -0.01  -0.02   0.06     0.06   0.09   0.03    -0.11   0.03   0.02
     8   6    -0.01   0.00  -0.02     0.22   0.02  -0.02    -0.07  -0.04  -0.01
     9   6    -0.01  -0.02  -0.01    -0.02  -0.02  -0.05    -0.01  -0.00  -0.02
    10   6     0.01   0.03   0.00    -0.01  -0.05   0.03    -0.00  -0.01   0.01
    11   6     0.01  -0.00   0.00     0.00   0.08   0.03     0.01  -0.02  -0.07
    12   6     0.01  -0.00  -0.02    -0.00  -0.03  -0.06    -0.07  -0.02   0.03
    13   8     0.00  -0.02  -0.01     0.05  -0.17   0.03    -0.00   0.06  -0.01
    14   8    -0.01   0.02  -0.01     0.01  -0.03  -0.07    -0.01  -0.01   0.03
    15   1     0.09   0.41   0.09    -0.12  -0.25  -0.08     0.11  -0.33  -0.15
    16   1    -0.00  -0.40  -0.10    -0.08  -0.14  -0.05     0.05  -0.32  -0.05
    17   1     0.00   0.39   0.17    -0.07  -0.15  -0.05    -0.01  -0.31  -0.07
    18   1    -0.09  -0.37  -0.16    -0.11  -0.26  -0.08     0.05  -0.33  -0.13
    19   1     0.07  -0.18   0.11    -0.00   0.06   0.02    -0.14  -0.01   0.02
    20   1    -0.06   0.07   0.21     0.00   0.06   0.01    -0.17   0.01   0.04
    21   1    -0.01  -0.00  -0.02     0.22   0.01  -0.02    -0.08  -0.09  -0.02
    22   1    -0.01  -0.04  -0.01    -0.11  -0.10  -0.34     0.01   0.02   0.04
    23   1    -0.02  -0.03   0.02    -0.16   0.02   0.15     0.02   0.00  -0.10
    24   1    -0.01  -0.04  -0.04    -0.17  -0.03   0.01     0.03   0.02  -0.00
    25   1     0.02   0.06  -0.00    -0.17  -0.03   0.01     0.03   0.02   0.01
    26   1     0.04   0.00   0.04    -0.18   0.10  -0.08     0.04  -0.06   0.08
    27   1     0.02   0.05  -0.00    -0.05  -0.29   0.22     0.01   0.04  -0.02
    28   1    -0.01   0.02   0.01    -0.01   0.13   0.05     0.02  -0.11  -0.10
    29   6    -0.00   0.01   0.01     0.04   0.09   0.06    -0.08  -0.06  -0.06
    30   1    -0.04   0.01   0.02     0.06  -0.01  -0.12     0.37   0.08   0.04
    31   1    -0.01   0.03   0.01     0.04   0.10   0.06    -0.19  -0.14  -0.11
    32   1     0.00   0.02   0.03     0.04   0.10   0.06    -0.05   0.03   0.07
    33   1    -0.01   0.01  -0.01     0.02   0.08   0.05    -0.17  -0.08  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    585.9070               611.1952               639.8066
 Red. masses --      1.7350                 2.7718                 2.1868
 Frc consts  --      0.3509                 0.6101                 0.5274
 IR Inten    --     53.6677                39.0599                41.5169
 RamAct Fr= 1--      1.7277                 0.8575                 1.9637
  Dep-P Fr= 1--      0.3576                 0.4053                 0.5957
  Dep-U Fr= 1--      0.5269                 0.5769                 0.7467
 Alpha2 Fr= 1--      0.0148                 0.0062                 0.0056
 Beta2  Fr= 1--      0.1517                 0.0824                 0.2444
 AlphaG Fr= 1--     -0.0170                -0.0121                 0.0179
 Gamma2 Fr= 1--     -0.0379                 0.1047                -0.4462
 Delta2 Fr= 1--      0.0261                 0.2895                -0.4775
 Raman1 Fr= 1--       6.911                  3.430                  7.855
 ROA1   Fr= 1--      -2.808                 19.318                -58.121
 CID1   Fr= 1--      -0.406                  5.632                 -7.399
 Raman2 Fr= 1--       1.821                  0.989                  2.932
 ROA2   Fr= 1--      -1.119                  0.198                 -6.890
 CID2   Fr= 1--      -0.615                  0.200                 -2.349
 Raman3 Fr= 1--       3.641                  1.979                  5.865
 ROA3   Fr= 1--      -2.808                 19.318                -58.121
 CID3   Fr= 1--      -0.771                  9.764                 -9.910
 RC180  Fr= 1--       0.054                  0.154                  0.493
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.04  -0.00    -0.00   0.06  -0.04    -0.05  -0.01   0.00
     2   6     0.04   0.00   0.01     0.06   0.04  -0.02    -0.07  -0.06  -0.05
     3   6     0.00  -0.03  -0.05    -0.02  -0.05  -0.00    -0.03  -0.02   0.11
     4   6    -0.03  -0.00  -0.01    -0.04   0.04   0.05     0.05  -0.10  -0.00
     5   6     0.01  -0.04  -0.01     0.04  -0.07   0.06     0.05   0.00   0.03
     6   6     0.03   0.03   0.03     0.04   0.04   0.01     0.02   0.01  -0.08
     7   6     0.02  -0.05  -0.02     0.04  -0.07  -0.03    -0.05   0.06   0.02
     8   6    -0.07  -0.02   0.00    -0.09  -0.02   0.00     0.07   0.02  -0.00
     9   6    -0.00   0.01   0.01    -0.00   0.01   0.02     0.01  -0.00  -0.02
    10   6    -0.00   0.01  -0.01    -0.01   0.02  -0.01     0.01  -0.01   0.01
    11   6    -0.05   0.03   0.08    -0.08   0.14  -0.08     0.06   0.07  -0.11
    12   6    -0.10  -0.02  -0.03     0.01   0.12   0.03     0.01   0.07   0.03
    13   8     0.02  -0.07   0.01     0.02  -0.07   0.16    -0.03   0.00   0.08
    14   8    -0.05   0.01  -0.05     0.06  -0.08  -0.09    -0.05  -0.06  -0.03
    15   1    -0.01   0.06   0.03    -0.01  -0.00  -0.06     0.06   0.18   0.01
    16   1     0.02  -0.06  -0.05     0.04  -0.17  -0.01    -0.02   0.19   0.17
    17   1     0.05  -0.07  -0.05     0.04  -0.18   0.01    -0.02   0.18   0.15
    18   1     0.02   0.04   0.03    -0.03  -0.01  -0.03     0.05   0.19  -0.02
    19   1     0.02  -0.03  -0.02     0.05  -0.05  -0.03    -0.03   0.07   0.02
    20   1     0.04  -0.05  -0.02     0.04  -0.06  -0.02    -0.05   0.05   0.00
    21   1    -0.06   0.03   0.02    -0.07   0.05   0.03     0.05  -0.06  -0.02
    22   1     0.03   0.05   0.12     0.04   0.06   0.15    -0.03  -0.05  -0.13
    23   1     0.05  -0.01  -0.08     0.07  -0.01  -0.10    -0.06   0.01   0.09
    24   1     0.05   0.02   0.00     0.06   0.02   0.01    -0.05  -0.02  -0.01
    25   1     0.05   0.02  -0.00     0.06   0.03  -0.00    -0.05  -0.03   0.00
    26   1     0.07  -0.05   0.04     0.08  -0.07   0.06    -0.08   0.06  -0.05
    27   1     0.01   0.11  -0.07     0.02   0.14  -0.08    -0.01  -0.13   0.07
    28   1    -0.02   0.08   0.10    -0.14   0.15  -0.09     0.02   0.02  -0.13
    29   6     0.05   0.06   0.06    -0.03  -0.02  -0.03    -0.01  -0.01  -0.02
    30   1     0.84   0.23  -0.05    -0.47  -0.15  -0.50     0.65   0.14  -0.24
    31   1     0.15   0.14   0.10    -0.09  -0.18  -0.10    -0.14  -0.18  -0.10
    32   1     0.02   0.04  -0.06    -0.04  -0.17  -0.01     0.02  -0.03   0.12
    33   1     0.06   0.07  -0.00     0.14   0.04   0.16     0.03   0.01   0.13
                     25                     26                     27
                      A                      A                      A
 Frequencies --    663.2814               713.8231               759.0098
 Red. masses --      5.5491                 3.0614                 4.0402
 Frc consts  --      1.4384                 0.9191                 1.3713
 IR Inten    --      6.2423                19.8792                11.9231
 RamAct Fr= 1--      5.4356                 0.6335                 3.9225
  Dep-P Fr= 1--      0.6044                 0.2211                 0.0227
  Dep-U Fr= 1--      0.7534                 0.3622                 0.0444
 Alpha2 Fr= 1--      0.0146                 0.0081                 0.0826
 Beta2  Fr= 1--      0.6826                 0.0382                 0.0291
 AlphaG Fr= 1--     -0.0505                -0.0005                -0.0449
 Gamma2 Fr= 1--     -0.1589                -0.1279                -0.8464
 Delta2 Fr= 1--     -0.1153                 0.0903                -0.0500
 Raman1 Fr= 1--      21.743                  2.534                 15.690
 ROA1   Fr= 1--     -18.945                 -9.390                -82.857
 CID1   Fr= 1--      -0.871                 -3.706                 -5.281
 Raman2 Fr= 1--       8.191                  0.459                  0.349
 ROA2   Fr= 1--      -2.892                 -3.792                -19.914
 CID2   Fr= 1--      -0.353                 -8.265                -57.119
 Raman3 Fr= 1--      16.381                  0.918                  0.697
 ROA3   Fr= 1--     -18.945                 -9.390                -82.857
 CID3   Fr= 1--      -1.157                -10.233               -118.832
 RC180  Fr= 1--       0.507                 -0.276                 -0.911
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.27  -0.09   0.15     0.06  -0.07  -0.02    -0.03  -0.07  -0.12
     2   6    -0.02  -0.05   0.08    -0.02   0.03   0.01     0.10   0.20   0.06
     3   6     0.24   0.03  -0.16     0.07   0.03  -0.01    -0.00   0.15  -0.04
     4   6     0.01  -0.00  -0.10    -0.00  -0.09  -0.03    -0.09  -0.18  -0.05
     5   6    -0.24   0.08  -0.13     0.11   0.03  -0.01     0.01   0.10   0.11
     6   6    -0.22  -0.04   0.17     0.10  -0.06  -0.07    -0.01  -0.13   0.05
     7   6    -0.03   0.02   0.04    -0.13   0.15   0.07     0.04   0.04   0.01
     8   6     0.02   0.01  -0.00    -0.03  -0.01  -0.00    -0.09  -0.03  -0.00
     9   6    -0.00  -0.01  -0.01    -0.00  -0.02  -0.07    -0.02  -0.01  -0.04
    10   6     0.01  -0.01   0.01     0.01  -0.06   0.04    -0.01  -0.04   0.03
    11   6     0.01   0.06  -0.07    -0.13  -0.02   0.12     0.00   0.00  -0.00
    12   6     0.00   0.09   0.03    -0.14   0.01  -0.01     0.24   0.06   0.00
    13   8    -0.01  -0.02   0.10     0.05  -0.03   0.05    -0.07  -0.01  -0.01
    14   8    -0.01  -0.03  -0.06     0.04   0.04  -0.08    -0.07  -0.03   0.02
    15   1     0.23  -0.01   0.21     0.12   0.08  -0.01    -0.15  -0.36  -0.15
    16   1     0.14   0.14  -0.17     0.14   0.28   0.09     0.08   0.22   0.01
    17   1    -0.18   0.17  -0.14     0.18   0.29   0.04     0.10   0.19   0.09
    18   1    -0.10   0.00   0.24     0.19   0.07   0.01    -0.12  -0.39  -0.07
    19   1     0.03  -0.11   0.09    -0.15   0.16   0.06    -0.00   0.04  -0.00
    20   1    -0.06   0.09   0.16    -0.13   0.14   0.04     0.01   0.03   0.02
    21   1     0.01  -0.04  -0.01    -0.07  -0.17  -0.05    -0.06   0.05   0.02
    22   1    -0.01  -0.02  -0.04    -0.01  -0.04  -0.10     0.03   0.05   0.10
    23   1    -0.03   0.00   0.03    -0.03  -0.01  -0.06     0.07  -0.03  -0.19
    24   1    -0.02  -0.01  -0.01    -0.01  -0.02  -0.07     0.06   0.01  -0.05
    25   1    -0.02  -0.01   0.01     0.00  -0.06   0.04     0.07  -0.02   0.03
    26   1    -0.02   0.02  -0.01    -0.01  -0.04   0.04     0.10  -0.14   0.11
    27   1    -0.00  -0.05   0.04     0.00  -0.09   0.05     0.02   0.10  -0.06
    28   1    -0.01   0.03  -0.09    -0.09   0.06   0.16    -0.05   0.05   0.00
    29   6    -0.03  -0.03  -0.05    -0.02   0.00   0.02    -0.00  -0.01  -0.01
    30   1     0.17   0.04  -0.33    -0.35  -0.04  -0.18     0.31   0.07   0.04
    31   1    -0.11  -0.16  -0.11     0.21   0.19   0.13     0.03  -0.05  -0.01
    32   1    -0.02  -0.07   0.02    -0.07  -0.09  -0.24    -0.02  -0.11  -0.05
    33   1     0.03  -0.01   0.07     0.05   0.01  -0.12     0.11   0.03   0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --    784.9324               821.1100               828.5640
 Red. masses --      3.0882                 3.4242                 2.7460
 Frc consts  --      1.1210                 1.3602                 1.1107
 IR Inten    --      1.9497                 5.4405                 1.3701
 RamAct Fr= 1--     34.2893                 6.4041                 6.6497
  Dep-P Fr= 1--      0.0205                 0.1523                 0.2144
  Dep-U Fr= 1--      0.0401                 0.2643                 0.3531
 Alpha2 Fr= 1--      0.7263                 0.0984                 0.0869
 Beta2  Fr= 1--      0.2292                 0.2821                 0.3913
 AlphaG Fr= 1--      0.0339                 0.0369                 0.1000
 Gamma2 Fr= 1--     -1.7910                -0.3016                 1.7750
 Delta2 Fr= 1--     -0.0034                 0.2075                 0.2032
 Raman1 Fr= 1--     137.157                 25.617                 26.599
 ROA1   Fr= 1--    -172.045                -22.316                176.907
 CID1   Fr= 1--      -1.254                 -0.871                  6.651
 Raman2 Fr= 1--       2.751                  3.385                  4.696
 ROA2   Fr= 1--     -42.956                 -8.898                 40.975
 CID2   Fr= 1--     -15.616                 -2.629                  8.726
 Raman3 Fr= 1--       5.502                  6.771                  9.391
 ROA3   Fr= 1--    -172.045                -22.316                176.907
 CID3   Fr= 1--     -31.272                 -3.296                 18.837
 RC180  Fr= 1--      -0.920                 -0.471                 -0.294
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.04  -0.05     0.01   0.07   0.03    -0.05   0.01   0.05
     2   6     0.04  -0.09  -0.04    -0.03  -0.15  -0.04     0.01   0.00   0.00
     3   6    -0.01  -0.04  -0.08     0.01   0.01  -0.02    -0.06   0.02   0.08
     4   6    -0.03   0.11   0.04    -0.00   0.09   0.04     0.04  -0.04  -0.02
     5   6    -0.01  -0.08   0.05     0.03  -0.00  -0.03    -0.06   0.05  -0.04
     6   6    -0.01  -0.00   0.08     0.05   0.07  -0.01    -0.04   0.02  -0.04
     7   6     0.03   0.19   0.06    -0.06   0.04   0.03     0.15   0.04   0.00
     8   6    -0.11   0.01   0.02     0.01   0.03   0.01    -0.07   0.03   0.02
     9   6    -0.01  -0.04  -0.16     0.01   0.00  -0.03    -0.02  -0.02  -0.10
    10   6     0.02  -0.13   0.10     0.02  -0.01   0.02     0.00  -0.08   0.07
    11   6     0.01   0.06  -0.06    -0.06  -0.07   0.14     0.11  -0.13   0.02
    12   6     0.03  -0.05  -0.02     0.28   0.10   0.01    -0.09   0.05   0.04
    13   8    -0.00  -0.00  -0.06    -0.07  -0.03   0.03     0.01   0.03   0.09
    14   8     0.00  -0.03   0.08    -0.07   0.02  -0.06     0.00   0.06  -0.11
    15   1    -0.02   0.35   0.10     0.00  -0.06  -0.02    -0.08  -0.20  -0.02
    16   1     0.06   0.05  -0.02    -0.03  -0.43  -0.16    -0.17  -0.17  -0.02
    17   1     0.05  -0.01   0.04     0.02  -0.34  -0.17    -0.15  -0.06  -0.02
    18   1    -0.06   0.31   0.15     0.09  -0.03  -0.02    -0.06  -0.10  -0.08
    19   1     0.14   0.22   0.08    -0.02   0.11   0.03     0.22   0.10   0.00
    20   1     0.12   0.24   0.08     0.02   0.05  -0.01     0.23   0.08   0.00
    21   1    -0.12  -0.04   0.00    -0.02  -0.10  -0.04    -0.03   0.18   0.06
    22   1     0.03  -0.01  -0.02    -0.02  -0.05  -0.10     0.04   0.02   0.07
    23   1     0.06  -0.07  -0.24    -0.04   0.01   0.07     0.08  -0.06  -0.19
    24   1     0.07  -0.06  -0.23    -0.03  -0.04  -0.06     0.08  -0.05  -0.19
    25   1     0.10  -0.19   0.13    -0.02  -0.06   0.02     0.11  -0.15   0.10
    26   1     0.10  -0.20   0.13    -0.04   0.04  -0.04     0.12  -0.17   0.10
    27   1     0.03  -0.02   0.01    -0.00  -0.09   0.04     0.03   0.07  -0.05
    28   1    -0.02   0.02  -0.09    -0.06   0.08   0.20     0.17  -0.16   0.02
    29   6     0.01   0.03  -0.01    -0.09  -0.09  -0.04     0.03  -0.04   0.00
    30   1     0.03  -0.04   0.21     0.17   0.08  -0.09    -0.05   0.07  -0.28
    31   1    -0.11  -0.12  -0.08     0.16   0.14   0.07    -0.01   0.13   0.05
    32   1     0.04   0.02   0.13    -0.14  -0.15  -0.32     0.06   0.20   0.08
    33   1     0.04   0.04   0.14    -0.03  -0.08  -0.23    -0.23  -0.13  -0.23
                     31                     32                     33
                      A                      A                      A
 Frequencies --    854.5503               855.6650               869.2262
 Red. masses --      1.2587                 3.3831                 1.9374
 Frc consts  --      0.5416                 1.4594                 0.8624
 IR Inten    --      0.1947                 4.2752                27.3025
 RamAct Fr= 1--      1.1295                10.1336                 2.9730
  Dep-P Fr= 1--      0.6035                 0.1415                 0.0650
  Dep-U Fr= 1--      0.7527                 0.2479                 0.1220
 Alpha2 Fr= 1--      0.0031                 0.1601                 0.0567
 Beta2  Fr= 1--      0.1417                 0.4186                 0.0604
 AlphaG Fr= 1--     -0.0220                -0.1202                 0.0250
 Gamma2 Fr= 1--      0.0506                 1.2113                 0.0311
 Delta2 Fr= 1--      0.1080                 0.0553                 0.0152
 Raman1 Fr= 1--       4.518                 40.534                 11.892
 ROA1   Fr= 1--       8.317                118.052                  3.468
 CID1   Fr= 1--       1.841                  2.912                  0.292
 Raman2 Fr= 1--       1.700                  5.024                  0.725
 ROA2   Fr= 1--       0.352                 28.627                  0.624
 CID2   Fr= 1--       0.207                  5.699                  0.860
 Raman3 Fr= 1--       3.401                 10.047                  1.451
 ROA3   Fr= 1--       8.317                118.052                  3.468
 CID3   Fr= 1--       2.446                 11.750                  2.391
 RC180  Fr= 1--       0.505                 -0.504                 -0.756
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.07  -0.02    -0.05   0.06  -0.15    -0.03  -0.06  -0.02
     2   6    -0.00   0.01   0.00     0.03  -0.05  -0.02     0.02   0.10   0.04
     3   6    -0.01  -0.08  -0.02     0.01   0.05  -0.16    -0.02  -0.07  -0.01
     4   6     0.00   0.01   0.01    -0.04   0.01   0.01     0.03   0.12   0.04
     5   6     0.00   0.07   0.01     0.05  -0.05   0.17    -0.02  -0.08  -0.04
     6   6     0.00   0.07   0.01    -0.01  -0.04   0.16    -0.01  -0.07  -0.03
     7   6     0.01  -0.01   0.01    -0.13   0.01   0.02     0.05  -0.03  -0.00
     8   6    -0.00  -0.00   0.00     0.03  -0.02  -0.01    -0.00  -0.04  -0.01
     9   6     0.00  -0.00  -0.00     0.02   0.01   0.05    -0.01  -0.01   0.03
    10   6    -0.00   0.00   0.00     0.01   0.04  -0.04    -0.02   0.02  -0.03
    11   6     0.00  -0.01   0.01     0.14  -0.12  -0.03     0.03  -0.04   0.06
    12   6     0.01   0.01  -0.00    -0.06   0.04   0.04     0.07   0.03   0.01
    13   8    -0.00  -0.00   0.00     0.00   0.03   0.06    -0.02  -0.00   0.02
    14   8    -0.00   0.00  -0.01     0.00   0.05  -0.08    -0.02   0.02  -0.04
    15   1     0.05   0.45   0.16    -0.16   0.11  -0.06     0.01   0.36   0.13
    16   1     0.05   0.51   0.17     0.14  -0.02  -0.13     0.01   0.35   0.12
    17   1    -0.07  -0.45  -0.16     0.15  -0.14   0.06     0.02   0.45   0.15
    18   1    -0.05  -0.43  -0.15    -0.14  -0.01   0.12     0.05   0.49   0.15
    19   1    -0.00   0.03  -0.00    -0.16  -0.00   0.02    -0.03  -0.03  -0.02
    20   1     0.02  -0.03  -0.02    -0.16  -0.01   0.01    -0.01  -0.08  -0.04
    21   1     0.00   0.02  -0.00    -0.02  -0.20  -0.07     0.02   0.07   0.01
    22   1     0.00   0.00  -0.01    -0.03  -0.03  -0.09     0.01   0.04   0.06
    23   1    -0.00  -0.00  -0.00    -0.07   0.04   0.13     0.02  -0.00  -0.06
    24   1     0.00  -0.00  -0.00    -0.06   0.02   0.10     0.02   0.04   0.08
    25   1     0.01  -0.00   0.00    -0.08   0.08  -0.05     0.01   0.09  -0.04
    26   1     0.01  -0.01   0.01    -0.08   0.11  -0.06     0.04  -0.04   0.05
    27   1     0.00   0.02  -0.02    -0.01  -0.08   0.05     0.00   0.09  -0.03
    28   1     0.00  -0.01   0.01     0.20  -0.21  -0.04     0.06  -0.01   0.07
    29   6    -0.00  -0.01  -0.00     0.06  -0.04   0.00    -0.04  -0.06  -0.04
    30   1    -0.00   0.00  -0.01    -0.02   0.06  -0.22     0.03   0.03  -0.05
    31   1     0.00   0.01   0.00    -0.11   0.08   0.01     0.01   0.07   0.02
    32   1    -0.00   0.01  -0.02     0.13   0.28   0.25    -0.03   0.04  -0.06
    33   1    -0.02  -0.02  -0.03    -0.28  -0.14  -0.18    -0.14  -0.10  -0.19
                     34                     35                     36
                      A                      A                      A
 Frequencies --    900.7205               942.8584               959.9284
 Red. masses --      1.5476                 1.2135                 1.6132
 Frc consts  --      0.7397                 0.6356                 0.8758
 IR Inten    --      0.3037                 0.2999                 0.0102
 RamAct Fr= 1--      0.5584                 0.3263                 6.9866
  Dep-P Fr= 1--      0.7063                 0.7500                 0.7478
  Dep-U Fr= 1--      0.8279                 0.8571                 0.8557
 Alpha2 Fr= 1--      0.0004                 0.0000                 0.0003
 Beta2  Fr= 1--      0.0770                 0.0466                 0.9964
 AlphaG Fr= 1--     -0.0010                -0.0000                 0.0039
 Gamma2 Fr= 1--      0.1699                -0.0374                -0.8057
 Delta2 Fr= 1--      0.1473                -0.0155                -1.2966
 Raman1 Fr= 1--       2.234                  1.305                 27.947
 ROA1   Fr= 1--      21.021                 -4.087               -118.838
 CID1   Fr= 1--       9.412                 -3.131                 -4.252
 Raman2 Fr= 1--       0.925                  0.559                 11.957
 ROA2   Fr= 1--       2.899                 -0.774                 -8.964
 CID2   Fr= 1--       3.135                 -1.384                 -0.750
 Raman3 Fr= 1--       1.849                  1.119                 23.914
 ROA3   Fr= 1--      21.021                 -4.087               -118.838
 CID3   Fr= 1--      11.368                 -3.653                 -4.969
 RC180  Fr= 1--       0.656                  0.714                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.03    -0.00  -0.00   0.01     0.01   0.09   0.02
     2   6     0.00  -0.01   0.01    -0.00   0.00  -0.01    -0.01   0.00   0.00
     3   6     0.03   0.01  -0.01    -0.01  -0.00   0.00    -0.00  -0.09  -0.05
     4   6     0.00  -0.01   0.01    -0.00   0.00  -0.01     0.01   0.03   0.01
     5   6    -0.03   0.00  -0.01     0.01  -0.00   0.00     0.01  -0.03   0.01
     6   6    -0.01   0.01  -0.03     0.00  -0.01   0.01     0.00   0.00   0.02
     7   6     0.02  -0.06   0.17    -0.01   0.02  -0.07    -0.05  -0.09  -0.02
     8   6     0.01  -0.02   0.05     0.00  -0.01   0.02     0.01   0.10   0.03
     9   6     0.05  -0.01  -0.05     0.05  -0.06   0.01     0.01   0.04  -0.07
    10   6    -0.05   0.04  -0.02    -0.04   0.04   0.06     0.02  -0.01   0.07
    11   6    -0.00   0.01  -0.01     0.00  -0.00   0.00     0.01   0.01   0.01
    12   6    -0.01  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1     0.02  -0.02  -0.06    -0.01  -0.01   0.02    -0.07  -0.52  -0.19
    16   1     0.07  -0.06  -0.01    -0.03   0.01   0.00     0.08   0.54   0.16
    17   1    -0.06   0.03   0.03     0.03  -0.01  -0.01     0.04   0.16   0.07
    18   1    -0.03   0.02  -0.04     0.01  -0.00   0.02    -0.01  -0.08  -0.01
    19   1    -0.17   0.49  -0.00     0.08  -0.19   0.01    -0.06  -0.07  -0.03
    20   1     0.13  -0.37  -0.34    -0.07   0.14   0.14    -0.05  -0.08  -0.02
    21   1    -0.02   0.07  -0.21    -0.03   0.10  -0.27     0.01   0.11   0.04
    22   1    -0.05  -0.10  -0.33    -0.02   0.05  -0.37    -0.01  -0.08  -0.00
    23   1    -0.11   0.04   0.14    -0.11   0.10  -0.15     0.01  -0.02   0.15
    24   1    -0.13  -0.03   0.01    -0.13   0.18   0.40     0.01  -0.12  -0.28
    25   1     0.13   0.02   0.00     0.19  -0.38   0.17     0.06  -0.25   0.13
    26   1     0.13  -0.11   0.06     0.08   0.02  -0.20    -0.02   0.07  -0.12
    27   1    -0.01   0.28  -0.20    -0.05   0.19  -0.32    -0.01  -0.06  -0.04
    28   1    -0.03  -0.01  -0.02     0.01   0.01   0.01     0.04   0.03   0.02
    29   6     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.02  -0.01
    30   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.01
    31   1    -0.03  -0.03  -0.02     0.01   0.01   0.01     0.00   0.02   0.00
    32   1     0.01   0.00   0.03    -0.00  -0.00  -0.01    -0.01   0.00  -0.03
    33   1     0.01   0.01   0.03    -0.00  -0.00  -0.01    -0.03  -0.03  -0.05
                     37                     38                     39
                      A                      A                      A
 Frequencies --    969.3998               973.7083               978.8127
 Red. masses --      1.5415                 1.5742                 1.4959
 Frc consts  --      0.8535                 0.8794                 0.8444
 IR Inten    --      0.1208                 0.0218                 0.0794
 RamAct Fr= 1--      2.8290                 2.6928                 0.8683
  Dep-P Fr= 1--      0.7465                 0.7488                 0.6970
  Dep-U Fr= 1--      0.8549                 0.8563                 0.8215
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.0008
 Beta2  Fr= 1--      0.4031                 0.3843                 0.1189
 AlphaG Fr= 1--      0.0061                -0.0004                 0.0016
 Gamma2 Fr= 1--     -1.6042                -0.0636                 1.7073
 Delta2 Fr= 1--      0.6832                 0.0086                 0.2318
 Raman1 Fr= 1--      11.316                 10.771                  3.473
 ROA1   Fr= 1--    -132.139                 -5.827                171.319
 CID1   Fr= 1--     -11.677                 -0.541                 49.324
 Raman2 Fr= 1--       4.837                  4.612                  1.427
 ROA2   Fr= 1--     -43.966                 -1.595                 39.120
 CID2   Fr= 1--      -9.089                 -0.346                 27.422
 Raman3 Fr= 1--       9.674                  9.224                  2.853
 ROA3   Fr= 1--    -132.139                 -5.827                171.319
 CID3   Fr= 1--     -13.659                 -0.632                 60.044
 RC180  Fr= 1--       0.710                  0.713                  0.643
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.09  -0.04    -0.00  -0.01   0.00     0.00  -0.03  -0.01
     2   6    -0.01   0.03   0.01    -0.00   0.01  -0.00    -0.01   0.04   0.02
     3   6     0.02   0.07   0.01    -0.00   0.01   0.00     0.01   0.02  -0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.01  -0.02  -0.00
     5   6     0.00  -0.08  -0.01     0.01  -0.00   0.00     0.02   0.09   0.04
     6   6     0.01   0.06   0.03     0.00  -0.00   0.01    -0.01  -0.10  -0.04
     7   6    -0.04  -0.08  -0.02    -0.01   0.01  -0.05    -0.02  -0.07  -0.02
     8   6     0.01   0.08   0.03    -0.01   0.04  -0.10     0.01   0.06   0.03
     9   6    -0.00   0.02  -0.06     0.04   0.09   0.08    -0.00   0.03  -0.05
    10   6     0.02   0.00   0.06    -0.03  -0.13   0.03     0.01   0.00   0.05
    11   6     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.02  -0.02  -0.01
    12   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1     0.05   0.49   0.16     0.00   0.05   0.03     0.03   0.18   0.06
    16   1    -0.02  -0.37  -0.13    -0.02  -0.03  -0.01    -0.00  -0.13  -0.05
    17   1     0.06   0.38   0.15     0.02   0.01  -0.00    -0.04  -0.53  -0.19
    18   1    -0.04  -0.36  -0.11     0.00  -0.01   0.01     0.08   0.60   0.19
    19   1    -0.07  -0.08  -0.03     0.01  -0.12  -0.02    -0.08  -0.09  -0.03
    20   1    -0.07  -0.09  -0.02    -0.02   0.09   0.06    -0.08  -0.10  -0.03
    21   1     0.02   0.12   0.07    -0.03   0.14  -0.34     0.03   0.14   0.06
    22   1     0.01  -0.04   0.03    -0.07  -0.15  -0.10     0.00  -0.04   0.04
    23   1     0.02  -0.03   0.07    -0.13   0.08   0.55     0.02  -0.03   0.07
    24   1     0.04  -0.09  -0.22    -0.13  -0.11  -0.09     0.03  -0.08  -0.20
    25   1     0.04  -0.24   0.12     0.13   0.11  -0.01     0.06  -0.19   0.09
    26   1    -0.02   0.08  -0.14     0.22  -0.38   0.33    -0.01   0.05  -0.10
    27   1    -0.01  -0.05  -0.05     0.05   0.18  -0.01    -0.01  -0.01  -0.05
    28   1     0.01   0.02   0.01     0.01   0.01   0.00    -0.04  -0.04  -0.02
    29   6    -0.01  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.02   0.01
    30   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.01
    31   1     0.01   0.00   0.00     0.01   0.01   0.01    -0.01  -0.02  -0.00
    32   1    -0.01  -0.01  -0.01    -0.00  -0.00  -0.01     0.02   0.00   0.03
    33   1     0.00   0.00  -0.01     0.00  -0.00  -0.01     0.02   0.02   0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1001.9003              1045.4931              1059.8352
 Red. masses --      1.9434                 2.8868                 1.7510
 Frc consts  --      1.1494                 1.8591                 1.1588
 IR Inten    --     26.4558                18.1609                62.6669
 RamAct Fr= 1--      9.4126                 0.3545                 4.9306
  Dep-P Fr= 1--      0.3375                 0.2070                 0.1970
  Dep-U Fr= 1--      0.5047                 0.3430                 0.3291
 Alpha2 Fr= 1--      0.0860                 0.0047                 0.0675
 Beta2  Fr= 1--      0.7917                 0.0203                 0.2705
 AlphaG Fr= 1--      0.1554                 0.0061                 0.0570
 Gamma2 Fr= 1--      0.0724                -0.0074                -0.7619
 Delta2 Fr= 1--     -0.6975                -0.1504                -1.1746
 Raman1 Fr= 1--      37.650                  1.418                 19.722
 ROA1   Fr= 1--     -15.372                 -5.524               -110.726
 CID1   Fr= 1--      -0.408                 -3.895                 -5.614
 Raman2 Fr= 1--       9.500                  0.243                  3.246
 ROA2   Fr= 1--       7.318                  1.025                 -8.887
 CID2   Fr= 1--       0.770                  4.214                 -2.738
 Raman3 Fr= 1--      19.001                  0.486                  6.491
 ROA3   Fr= 1--     -15.372                 -5.524               -110.726
 CID3   Fr= 1--      -0.809                -11.357                -17.058
 RC180  Fr= 1--       0.009                 -0.314                 -0.342
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.03    -0.06   0.07  -0.19     0.02   0.01  -0.03
     2   6    -0.00   0.00  -0.01     0.03  -0.01  -0.01     0.02  -0.00   0.01
     3   6     0.00   0.02   0.01    -0.01  -0.06   0.18    -0.01  -0.02   0.05
     4   6     0.05  -0.04  -0.03     0.06  -0.00  -0.01    -0.06  -0.01   0.02
     5   6     0.00   0.02   0.04    -0.04   0.06  -0.17    -0.02   0.03  -0.08
     6   6    -0.04  -0.02   0.04    -0.02  -0.07   0.20     0.02  -0.01   0.01
     7   6     0.01  -0.00   0.01    -0.01  -0.00   0.00    -0.01  -0.00   0.00
     8   6     0.00  -0.01   0.01    -0.00   0.01   0.00    -0.01   0.00  -0.01
     9   6    -0.00  -0.00  -0.01     0.00   0.00  -0.00     0.00   0.00   0.00
    10   6    -0.00   0.00  -0.01     0.00   0.00   0.00     0.01   0.00   0.01
    11   6     0.10   0.14   0.01     0.02  -0.00   0.03    -0.07  -0.00  -0.04
    12   6    -0.07   0.02  -0.06    -0.01  -0.04   0.03     0.01   0.08  -0.07
    13   8     0.02  -0.02  -0.02     0.00   0.01   0.01    -0.00  -0.01  -0.01
    14   8     0.02  -0.04   0.08    -0.00   0.02  -0.05     0.00  -0.04   0.10
    15   1    -0.01   0.04  -0.02     0.18   0.11  -0.36     0.11   0.02  -0.09
    16   1    -0.03  -0.09  -0.03     0.27  -0.13   0.28     0.11  -0.05   0.10
    17   1    -0.03  -0.15  -0.00     0.18   0.06  -0.34     0.10   0.07  -0.16
    18   1    -0.09   0.06   0.05     0.25  -0.11   0.31     0.17  -0.05   0.06
    19   1     0.02   0.03   0.00    -0.04  -0.01  -0.00    -0.04  -0.01  -0.00
    20   1    -0.01  -0.03  -0.01    -0.04  -0.01   0.00     0.02   0.01  -0.00
    21   1     0.01   0.01   0.02    -0.01  -0.02  -0.00    -0.01  -0.03  -0.02
    22   1     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    23   1     0.01  -0.00  -0.01    -0.00   0.00   0.02    -0.01   0.00   0.02
    24   1     0.00  -0.00  -0.01    -0.00  -0.01  -0.02    -0.01  -0.00   0.00
    25   1    -0.00   0.02  -0.01    -0.00  -0.02   0.01    -0.00  -0.03   0.01
    26   1     0.00  -0.01   0.01    -0.01   0.01  -0.01    -0.01   0.02  -0.02
    27   1     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.03   0.00
    28   1     0.36   0.51   0.19     0.04  -0.12  -0.01    -0.31   0.24  -0.00
    29   6    -0.09  -0.10  -0.02    -0.05   0.04  -0.02     0.11  -0.06   0.03
    30   1     0.02  -0.02  -0.04    -0.00  -0.00   0.09     0.01   0.00  -0.19
    31   1     0.19   0.23   0.13     0.03  -0.12  -0.05    -0.13   0.20   0.07
    32   1    -0.15  -0.06  -0.38    -0.08  -0.19  -0.10     0.19   0.41   0.30
    33   1    -0.09  -0.12  -0.38     0.17   0.10   0.17    -0.37  -0.21  -0.29
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1087.9393              1107.8531              1110.1956
 Red. masses --      1.9619                 1.9696                 1.4937
 Frc consts  --      1.3682                 1.4242                 1.0847
 IR Inten    --      2.1936                 4.3877                 1.0484
 RamAct Fr= 1--      5.2034                 5.9843                 4.8076
  Dep-P Fr= 1--      0.6624                 0.2292                 0.2231
  Dep-U Fr= 1--      0.7969                 0.3729                 0.3647
 Alpha2 Fr= 1--      0.0081                 0.0751                 0.0614
 Beta2  Fr= 1--      0.6911                 0.3719                 0.2923
 AlphaG Fr= 1--     -0.0411                -0.0783                -0.0068
 Gamma2 Fr= 1--      0.1441                -2.2585                 0.1231
 Delta2 Fr= 1--      1.6677                -0.1783                 0.1266
 Raman1 Fr= 1--      20.814                 23.937                 19.230
 ROA1   Fr= 1--      67.194               -222.523                 15.870
 CID1   Fr= 1--       3.228                 -9.296                  0.825
 Raman2 Fr= 1--       8.293                  4.463                  3.507
 ROA2   Fr= 1--      -9.884                -52.777                  1.942
 CID2   Fr= 1--      -1.192                -11.825                  0.554
 Raman3 Fr= 1--      16.587                  8.927                  7.014
 ROA3   Fr= 1--      67.194               -222.523                 15.870
 CID3   Fr= 1--       4.051                -24.928                  2.263
 RC180  Fr= 1--       0.594                 -0.254                 -0.271
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.05    -0.01  -0.01   0.03    -0.01   0.02  -0.00
     2   6     0.01  -0.02   0.07     0.01   0.02  -0.02    -0.07  -0.04  -0.01
     3   6     0.03   0.02  -0.05    -0.02   0.01  -0.00     0.02   0.01  -0.02
     4   6     0.02  -0.05   0.04    -0.01  -0.03   0.00     0.00  -0.01   0.00
     5   6    -0.03   0.02  -0.02     0.01   0.01  -0.01     0.03  -0.01   0.01
     6   6     0.02   0.01  -0.06     0.02  -0.01   0.01     0.00   0.01   0.02
     7   6     0.01  -0.01   0.04    -0.00   0.01  -0.06    -0.02   0.04   0.00
     8   6    -0.01   0.04  -0.12    -0.02  -0.04   0.11     0.14   0.02   0.01
     9   6    -0.03  -0.02   0.06     0.04   0.03  -0.05    -0.06  -0.03  -0.01
    10   6     0.04  -0.02   0.05    -0.03   0.02  -0.04    -0.08  -0.03  -0.02
    11   6     0.05   0.07   0.13     0.04   0.08   0.17    -0.01   0.01   0.03
    12   6    -0.03  -0.01  -0.01    -0.02  -0.01  -0.01    -0.00   0.00  -0.01
    13   8     0.01  -0.01  -0.01     0.01  -0.01  -0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00  -0.00     0.00   0.00  -0.01     0.00  -0.00   0.00
    15   1    -0.18  -0.01   0.04    -0.09  -0.00   0.10     0.02  -0.04  -0.05
    16   1     0.18  -0.06  -0.01    -0.10  -0.02  -0.05     0.05  -0.01  -0.02
    17   1    -0.21  -0.05   0.08     0.06  -0.01  -0.06     0.06  -0.00  -0.01
    18   1     0.12   0.01  -0.01     0.08  -0.02   0.04     0.08  -0.08   0.03
    19   1    -0.42  -0.08  -0.03     0.41   0.04   0.02    -0.16  -0.10   0.01
    20   1     0.42   0.12  -0.05    -0.31  -0.03   0.08    -0.27  -0.10  -0.01
    21   1    -0.02   0.06  -0.17    -0.03  -0.16   0.14     0.26   0.48   0.17
    22   1     0.01   0.10   0.12    -0.02  -0.12  -0.16     0.04   0.14   0.22
    23   1     0.01   0.01  -0.12    -0.04   0.02   0.17     0.13  -0.09  -0.29
    24   1     0.03   0.09   0.17    -0.06  -0.09  -0.15     0.15   0.06   0.01
    25   1    -0.00  -0.17   0.08    -0.02   0.13  -0.06     0.15   0.11  -0.02
    26   1    -0.03   0.07  -0.09    -0.00  -0.01   0.05     0.19  -0.26   0.17
    27   1     0.00  -0.16   0.04    -0.01   0.09  -0.01     0.01   0.29  -0.10
    28   1    -0.13   0.07   0.09    -0.15   0.05   0.12    -0.06   0.01   0.02
    29   6    -0.00  -0.02  -0.10     0.02  -0.02  -0.13     0.01  -0.00  -0.02
    30   1     0.00  -0.01   0.07     0.00  -0.02   0.12    -0.00  -0.00   0.00
    31   1    -0.24  -0.21  -0.21    -0.33  -0.24  -0.26    -0.06  -0.03  -0.04
    32   1     0.04   0.00   0.15     0.09   0.06   0.26     0.02   0.02   0.06
    33   1    -0.08  -0.03   0.08    -0.16  -0.06   0.10    -0.03  -0.01   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1151.4873              1187.0860              1203.3838
 Red. masses --      1.4078                 2.0614                 2.0079
 Frc consts  --      1.0998                 1.7115                 1.7132
 IR Inten    --      0.3798               139.2710                 2.0065
 RamAct Fr= 1--      3.1850                 8.2364                 7.6769
  Dep-P Fr= 1--      0.1921                 0.2993                 0.2865
  Dep-U Fr= 1--      0.3223                 0.4608                 0.4454
 Alpha2 Fr= 1--      0.0442                 0.0846                 0.0820
 Beta2  Fr= 1--      0.1711                 0.6325                 0.5699
 AlphaG Fr= 1--     -0.0079                -0.0708                 0.0364
 Gamma2 Fr= 1--     -1.4074                 0.9428                 0.3322
 Delta2 Fr= 1--     -0.8100                 0.3642                -0.6272
 Raman1 Fr= 1--      12.740                 32.946                 30.708
 ROA1   Fr= 1--    -161.025                102.159                 11.824
 CID1   Fr= 1--     -12.639                  3.101                  0.385
 Raman2 Fr= 1--       2.053                  7.590                  6.839
 ROA2   Fr= 1--     -27.297                 19.713                 12.991
 CID2   Fr= 1--     -13.294                  2.597                  1.900
 Raman3 Fr= 1--       4.106                 15.180                 13.677
 ROA3   Fr= 1--    -161.025                102.159                 11.824
 CID3   Fr= 1--     -39.213                  6.730                  0.864
 RC180  Fr= 1--      -0.355                 -0.078                 -0.109
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.01   0.01     0.01  -0.01   0.02    -0.02  -0.00  -0.01
     2   6     0.00   0.01  -0.02     0.02  -0.01  -0.01    -0.07   0.03   0.01
     3   6    -0.07   0.00   0.03     0.01  -0.01   0.02     0.02   0.00  -0.02
     4   6    -0.03   0.00  -0.03    -0.09  -0.01  -0.01     0.02  -0.00  -0.00
     5   6     0.07  -0.01   0.01    -0.04   0.01   0.00     0.03  -0.01   0.01
     6   6    -0.06   0.00   0.02     0.04   0.01  -0.03    -0.02  -0.01   0.01
     7   6    -0.00  -0.01   0.04    -0.01   0.01   0.00    -0.01  -0.07  -0.02
     8   6     0.00   0.02  -0.05     0.01  -0.00  -0.00    -0.09   0.18   0.07
     9   6    -0.02  -0.01   0.02    -0.01   0.00   0.00     0.07  -0.10  -0.01
    10   6     0.02  -0.00   0.02    -0.01   0.00   0.00     0.07  -0.08  -0.07
    11   6     0.01   0.03   0.05    -0.03   0.12  -0.07    -0.02   0.01  -0.00
    12   6     0.00  -0.02   0.01     0.04  -0.10   0.10     0.01  -0.01   0.01
    13   8     0.00   0.00   0.01    -0.01   0.04   0.05    -0.00   0.00   0.01
    14   8    -0.00   0.00  -0.03     0.00  -0.00  -0.14     0.00  -0.00  -0.01
    15   1     0.45   0.03  -0.24    -0.04  -0.02   0.06     0.05   0.03  -0.05
    16   1    -0.41   0.06  -0.10     0.25  -0.09   0.12     0.03   0.00  -0.02
    17   1     0.40   0.03  -0.22    -0.07  -0.03   0.00     0.05  -0.00  -0.00
    18   1    -0.43   0.08  -0.13     0.12  -0.02   0.00     0.05  -0.00   0.05
    19   1    -0.13   0.04   0.00    -0.03  -0.01   0.00     0.08   0.03  -0.02
    20   1     0.10  -0.03  -0.05    -0.03  -0.01  -0.00     0.08   0.01   0.02
    21   1    -0.00   0.04  -0.09     0.01  -0.01  -0.00    -0.04   0.35   0.12
    22   1     0.01   0.04   0.06     0.00   0.00   0.03     0.02   0.08  -0.39
    23   1     0.01  -0.01  -0.05     0.01  -0.01  -0.00    -0.14   0.11  -0.20
    24   1     0.02   0.03   0.05     0.01  -0.00  -0.01    -0.10   0.11   0.33
    25   1    -0.00  -0.06   0.03     0.01  -0.01   0.01    -0.16   0.28  -0.16
    26   1    -0.01   0.02  -0.02     0.01  -0.01  -0.01    -0.09  -0.05   0.25
    27   1     0.00  -0.05   0.01    -0.00   0.02  -0.02     0.10  -0.18   0.35
    28   1     0.03   0.00   0.04     0.19   0.13  -0.02    -0.05   0.02  -0.01
    29   6     0.01  -0.01  -0.04     0.03  -0.07   0.01     0.01  -0.01   0.00
    30   1     0.00  -0.02   0.13     0.02  -0.11   0.75     0.00  -0.01   0.08
    31   1    -0.09  -0.04  -0.06    -0.01   0.19   0.09    -0.01   0.02   0.01
    32   1     0.04   0.04   0.09     0.05   0.22   0.02     0.01   0.03   0.01
    33   1    -0.06  -0.03   0.01    -0.14  -0.12  -0.19    -0.03  -0.02  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1214.7137              1223.2043              1237.4072
 Red. masses --      1.3546                 1.9418                 2.4938
 Frc consts  --      1.1776                 1.7118                 2.2498
 IR Inten    --      4.8896                 8.7669                 3.8402
 RamAct Fr= 1--     65.8707                32.1950                38.4435
  Dep-P Fr= 1--      0.1149                 0.2105                 0.1861
  Dep-U Fr= 1--      0.2061                 0.3478                 0.3138
 Alpha2 Fr= 1--      1.1118                 0.4251                 0.5415
 Beta2  Fr= 1--      2.2629                 1.8662                 2.0107
 AlphaG Fr= 1--      0.1807                 0.1098                -0.1314
 Gamma2 Fr= 1--     -6.1908                -1.1111                -0.4560
 Delta2 Fr= 1--      0.2530                 0.3866                 0.0935
 Raman1 Fr= 1--     263.483                128.780                153.774
 ROA1   Fr= 1--    -586.217                -94.291                -40.785
 CID1   Fr= 1--      -2.225                 -0.732                 -0.265
 Raman2 Fr= 1--      27.155                 22.394                 24.128
 ROA2   Fr= 1--    -150.603                -29.758                -11.693
 CID2   Fr= 1--      -5.546                 -1.329                 -0.485
 Raman3 Fr= 1--      54.310                 44.788                 48.256
 ROA3   Fr= 1--    -586.217                -94.291                -40.785
 CID3   Fr= 1--     -10.794                 -2.105                 -0.845
 RC180  Fr= 1--      -0.588                 -0.304                 -0.372
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02   0.05    -0.08   0.02  -0.02     0.05   0.00  -0.03
     2   6     0.04  -0.00  -0.01    -0.03  -0.00   0.01     0.29  -0.04  -0.02
     3   6     0.02  -0.02   0.04     0.06  -0.00  -0.02    -0.07  -0.01   0.05
     4   6    -0.12   0.01   0.00     0.20  -0.03  -0.00     0.06  -0.01   0.02
     5   6     0.01   0.01  -0.03     0.08   0.00  -0.03    -0.07   0.03  -0.06
     6   6    -0.01   0.02  -0.04    -0.10   0.00   0.03     0.03  -0.00  -0.01
     7   6    -0.02  -0.00   0.00     0.02   0.01  -0.00    -0.12   0.01   0.00
     8   6     0.00   0.03   0.01     0.00  -0.03  -0.00     0.02   0.08   0.05
     9   6     0.00  -0.01  -0.00    -0.00   0.01   0.00     0.01  -0.03  -0.01
    10   6     0.00  -0.01  -0.01    -0.01   0.01   0.01    -0.01  -0.03  -0.02
    11   6     0.06  -0.02   0.01    -0.10   0.01  -0.01     0.00  -0.00  -0.01
    12   6    -0.01   0.02  -0.01     0.01  -0.01   0.01    -0.00  -0.01   0.00
    13   8     0.00  -0.01  -0.01    -0.01   0.01   0.02    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.02     0.00  -0.01  -0.03     0.00   0.00  -0.00
    15   1    -0.28  -0.05   0.25    -0.44  -0.03   0.23    -0.22  -0.03   0.18
    16   1     0.50  -0.13   0.24     0.09  -0.01  -0.02    -0.40   0.07  -0.07
    17   1     0.38   0.07  -0.30     0.25   0.02  -0.14    -0.33  -0.01   0.12
    18   1    -0.33   0.10  -0.18    -0.53   0.10  -0.13    -0.28   0.08  -0.14
    19   1    -0.04   0.00  -0.00     0.02   0.00  -0.00    -0.43  -0.16  -0.02
    20   1    -0.05  -0.01   0.01     0.05   0.03   0.01    -0.27  -0.03   0.04
    21   1     0.00   0.04   0.00     0.00  -0.04   0.01    -0.00  -0.03   0.10
    22   1     0.00   0.02  -0.02    -0.00  -0.02   0.03     0.01   0.04  -0.09
    23   1    -0.00   0.01  -0.04     0.01  -0.01   0.04    -0.01   0.01  -0.10
    24   1     0.00   0.02   0.03    -0.00  -0.02  -0.04     0.01   0.02   0.05
    25   1    -0.00   0.03  -0.01     0.01  -0.03   0.01     0.01   0.09  -0.04
    26   1     0.00  -0.02   0.04     0.01   0.01  -0.02     0.02  -0.09   0.11
    27   1     0.01  -0.00   0.03    -0.01   0.02  -0.04     0.02   0.06   0.06
    28   1     0.23  -0.07   0.02    -0.42   0.12  -0.04    -0.15   0.05  -0.02
    29   6    -0.02   0.01  -0.02     0.02  -0.01   0.03    -0.00  -0.00   0.01
    30   1     0.00   0.02  -0.14     0.00  -0.03   0.19    -0.00  -0.00  -0.00
    31   1     0.02  -0.05  -0.03    -0.02   0.08   0.05     0.01   0.01   0.02
    32   1    -0.01  -0.05   0.01     0.02   0.06   0.01    -0.01  -0.01  -0.04
    33   1     0.05   0.03   0.05    -0.07  -0.04  -0.06     0.00  -0.00  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1245.0210              1298.0220              1309.7962
 Red. masses --      1.3681                 1.9833                 1.5293
 Frc consts  --      1.2495                 1.9688                 1.5458
 IR Inten    --      1.1714                 0.7916                 8.6218
 RamAct Fr= 1--      6.9257                 6.6179                41.9529
  Dep-P Fr= 1--      0.7416                 0.1734                 0.2857
  Dep-U Fr= 1--      0.8517                 0.2956                 0.4444
 Alpha2 Fr= 1--      0.0010                 0.0963                 0.4489
 Beta2  Fr= 1--      0.9831                 0.3261                 3.1072
 AlphaG Fr= 1--      0.0190                 0.0779                -0.1669
 Gamma2 Fr= 1--      0.8116                 1.7883                -0.6704
 Delta2 Fr= 1--     -0.1440                -0.5127                 0.0008
 Raman1 Fr= 1--      27.703                 26.471                167.812
 ROA1   Fr= 1--      73.306                155.268                -64.333
 CID1   Fr= 1--       2.646                  5.866                 -0.383
 Raman2 Fr= 1--      11.797                  3.913                 37.286
 ROA2   Fr= 1--      20.631                 47.020                -16.095
 CID2   Fr= 1--       1.749                 12.018                 -0.432
 Raman3 Fr= 1--      23.593                  7.825                 74.572
 ROA3   Fr= 1--      73.306                155.268                -64.333
 CID3   Fr= 1--       3.107                 19.842                 -0.863
 RC180  Fr= 1--       0.703                 -0.409                 -0.111
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.03     0.06   0.00  -0.03     0.01   0.00   0.00
     2   6    -0.02  -0.02   0.08    -0.01  -0.01   0.04    -0.01  -0.03  -0.01
     3   6    -0.02   0.01  -0.02    -0.04   0.02  -0.05    -0.00   0.00  -0.00
     4   6    -0.02  -0.01   0.03    -0.06  -0.03   0.17    -0.01  -0.00   0.01
     5   6     0.02   0.00  -0.01     0.02   0.01  -0.04     0.00   0.00  -0.00
     6   6    -0.02   0.02  -0.03    -0.04   0.02  -0.05     0.00   0.01  -0.00
     7   6     0.01   0.01  -0.04    -0.00  -0.00  -0.01     0.10   0.09   0.02
     8   6     0.01  -0.04   0.09     0.01   0.00  -0.00    -0.10  -0.10  -0.02
     9   6     0.05   0.02  -0.03    -0.01  -0.00   0.00     0.06   0.03   0.00
    10   6    -0.05   0.00  -0.02     0.01  -0.00   0.00     0.06   0.03   0.00
    11   6     0.02  -0.00  -0.01     0.15  -0.05  -0.05     0.01  -0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.03  -0.00  -0.01    -0.00   0.00  -0.00
    13   8     0.00   0.00   0.00     0.00   0.02   0.04     0.00   0.00   0.00
    14   8     0.00  -0.00  -0.00     0.01  -0.02  -0.02     0.00  -0.00  -0.00
    15   1     0.16   0.03  -0.13    -0.11  -0.02   0.09    -0.02  -0.03   0.01
    16   1     0.08  -0.01   0.01    -0.17   0.07  -0.10    -0.00  -0.00  -0.00
    17   1     0.03   0.00  -0.02     0.27   0.05  -0.22     0.02  -0.00  -0.01
    18   1    -0.07   0.02  -0.06     0.28  -0.06   0.08     0.00  -0.02  -0.01
    19   1    -0.37  -0.31  -0.05     0.18   0.08   0.01    -0.41  -0.27  -0.01
    20   1     0.46   0.32   0.08    -0.09  -0.04   0.00    -0.43  -0.25  -0.09
    21   1     0.05  -0.15   0.45    -0.01   0.02  -0.12     0.06   0.51   0.17
    22   1    -0.01  -0.11  -0.16     0.00   0.02   0.04    -0.02  -0.13  -0.13
    23   1    -0.02   0.02   0.11     0.01  -0.01  -0.02    -0.05   0.06   0.12
    24   1    -0.05  -0.06  -0.07     0.02   0.01  -0.00    -0.14  -0.07  -0.03
    25   1     0.04   0.08  -0.03    -0.00   0.00  -0.00    -0.14  -0.08   0.00
    26   1     0.03  -0.07   0.05    -0.01   0.01  -0.01    -0.07   0.12  -0.05
    27   1    -0.01   0.18  -0.07     0.00  -0.01   0.01    -0.00  -0.18   0.02
    28   1     0.02   0.01  -0.01    -0.57   0.31  -0.07    -0.02   0.01  -0.00
    29   6    -0.01   0.00   0.00    -0.06   0.01   0.03    -0.00   0.00   0.00
    30   1     0.00  -0.00   0.01     0.02  -0.04   0.22     0.00  -0.00   0.02
    31   1     0.02   0.01   0.01     0.18  -0.01   0.06     0.01  -0.00   0.00
    32   1    -0.01  -0.01  -0.02    -0.08  -0.09  -0.11    -0.00  -0.01  -0.00
    33   1     0.02   0.01  -0.00     0.15   0.06  -0.05     0.01   0.00  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1341.0183              1346.2913              1353.3582
 Red. masses --      1.8195                 1.6865                 1.8595
 Frc consts  --      1.9278                 1.8010                 2.0067
 IR Inten    --      4.3376                18.1381                11.3203
 RamAct Fr= 1--     10.1499                 2.8872                 1.8947
  Dep-P Fr= 1--      0.5748                 0.6699                 0.7417
  Dep-U Fr= 1--      0.7300                 0.8023                 0.8517
 Alpha2 Fr= 1--      0.0335                 0.0041                 0.0003
 Beta2  Fr= 1--      1.2349                 0.3861                 0.2690
 AlphaG Fr= 1--      0.1222                 0.0061                -0.0014
 Gamma2 Fr= 1--     -1.5527                 5.1224                -1.1939
 Delta2 Fr= 1--     -0.1833                 2.9044                -1.0786
 Raman1 Fr= 1--      40.600                 11.549                  7.579
 ROA1   Fr= 1--    -154.922                584.687               -149.132
 CID1   Fr= 1--      -3.816                 50.628                -19.678
 Raman2 Fr= 1--      14.819                  4.633                  3.227
 ROA2   Fr= 1--     -35.798                 99.702                -20.025
 CID2   Fr= 1--      -2.416                 21.520                 -6.205
 Raman3 Fr= 1--      29.639                  9.266                  6.455
 ROA3   Fr= 1--    -154.922                584.687               -149.132
 CID3   Fr= 1--      -5.227                 63.102                -23.104
 RC180  Fr= 1--       0.460                  0.605                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01   0.03     0.03   0.00  -0.02     0.03   0.01  -0.03
     2   6    -0.00   0.02  -0.05     0.00  -0.03   0.07     0.02  -0.05   0.13
     3   6     0.04  -0.02   0.02    -0.05   0.01  -0.02    -0.08   0.02  -0.03
     4   6    -0.00   0.04  -0.06     0.01  -0.01   0.02     0.01  -0.01   0.02
     5   6    -0.04  -0.01   0.03     0.05   0.01  -0.03     0.07   0.01  -0.05
     6   6     0.05  -0.01   0.02    -0.04   0.01  -0.01    -0.05   0.01  -0.02
     7   6     0.00  -0.00   0.01     0.00   0.01  -0.02    -0.01   0.01  -0.03
     8   6    -0.00   0.01  -0.01     0.00  -0.01   0.02     0.01  -0.02   0.06
     9   6     0.01  -0.00   0.00    -0.01   0.00  -0.00    -0.03   0.01  -0.00
    10   6    -0.01   0.00   0.00     0.01  -0.00  -0.01     0.03  -0.00  -0.02
    11   6    -0.01  -0.16  -0.02    -0.04  -0.04  -0.04    -0.02  -0.03   0.01
    12   6    -0.02   0.08  -0.08     0.03  -0.14   0.11    -0.02   0.11  -0.09
    13   8    -0.01   0.02   0.06    -0.00   0.02  -0.02    -0.00  -0.01   0.03
    14   8     0.01  -0.04  -0.01    -0.01   0.05  -0.00     0.01  -0.04   0.00
    15   1     0.05   0.00  -0.03     0.07   0.01  -0.05     0.18   0.03  -0.13
    16   1    -0.02   0.03   0.01     0.16  -0.03   0.07     0.30  -0.08   0.12
    17   1    -0.01   0.01   0.01    -0.14  -0.03   0.10    -0.30  -0.03   0.22
    18   1    -0.06   0.01  -0.02    -0.08   0.02  -0.03    -0.21   0.05  -0.08
    19   1    -0.09  -0.02  -0.01     0.11   0.02   0.01     0.17   0.00   0.01
    20   1     0.08   0.02  -0.01    -0.11  -0.03   0.02    -0.17  -0.02   0.04
    21   1     0.01  -0.05   0.12    -0.02   0.07  -0.19    -0.05   0.15  -0.42
    22   1     0.00   0.00  -0.02    -0.01  -0.00   0.02    -0.02  -0.01   0.05
    23   1    -0.01   0.01   0.01     0.02  -0.02  -0.02     0.06  -0.04  -0.04
    24   1    -0.01   0.00   0.02     0.02  -0.01  -0.03     0.04  -0.02  -0.07
    25   1     0.01  -0.01   0.01    -0.02   0.02  -0.01    -0.05   0.05  -0.04
    26   1     0.02  -0.02   0.00    -0.02   0.02   0.00    -0.06   0.05   0.01
    27   1    -0.01   0.01  -0.01     0.01  -0.02   0.02     0.03  -0.02   0.04
    28   1     0.09   0.70   0.32     0.17   0.65   0.27     0.22  -0.21  -0.01
    29   6     0.01   0.07  -0.03     0.01   0.02  -0.04     0.01   0.02   0.02
    30   1     0.02  -0.08   0.41    -0.02   0.09  -0.45     0.02  -0.08   0.39
    31   1    -0.02  -0.19  -0.13    -0.04   0.01  -0.05    -0.05  -0.10  -0.04
    32   1     0.03  -0.14   0.13     0.05   0.03   0.13    -0.01  -0.07  -0.06
    33   1     0.01   0.07   0.11     0.03   0.03   0.16    -0.06  -0.01  -0.07
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1373.0692              1376.3822              1388.2120
 Red. masses --      1.6401                 1.3097                 1.3529
 Frc consts  --      1.8219                 1.4618                 1.5361
 IR Inten    --      2.0774                 0.1282                 8.3501
 RamAct Fr= 1--      1.2657                 1.7811                12.5248
  Dep-P Fr= 1--      0.4501                 0.5789                 0.3896
  Dep-U Fr= 1--      0.6207                 0.7333                 0.5608
 Alpha2 Fr= 1--      0.0078                 0.0057                 0.0962
 Beta2  Fr= 1--      0.1309                 0.2177                 1.1706
 AlphaG Fr= 1--      0.0259                -0.0149                -0.0142
 Gamma2 Fr= 1--      0.4728                 1.1998                 0.0323
 Delta2 Fr= 1--      0.0567                 0.8158                 0.1322
 Raman1 Fr= 1--       5.063                  7.124                 50.099
 ROA1   Fr= 1--      47.200                141.287                  7.331
 CID1   Fr= 1--       9.323                 19.832                  0.146
 Raman2 Fr= 1--       1.571                  2.612                 14.047
 ROA2   Fr= 1--      10.894                 22.269                 -0.282
 CID2   Fr= 1--       6.933                  8.525                 -0.020
 Raman3 Fr= 1--       3.143                  5.224                 28.093
 ROA3   Fr= 1--      47.200                141.287                  7.331
 CID3   Fr= 1--      15.019                 27.043                  0.261
 RC180  Fr= 1--       0.241                  0.467                  0.122
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.01  -0.05    -0.03  -0.00   0.02     0.01   0.00  -0.01
     2   6     0.00  -0.01   0.02     0.00  -0.02   0.05     0.04   0.01  -0.00
     3   6    -0.05   0.01  -0.00    -0.03   0.01  -0.02    -0.01  -0.00   0.01
     4   6     0.03  -0.03   0.08    -0.02   0.02  -0.04    -0.00   0.00   0.00
     5   6     0.05   0.00  -0.02     0.02   0.00  -0.02    -0.01   0.00  -0.01
     6   6    -0.09   0.02  -0.02     0.04  -0.01   0.01     0.01  -0.00   0.01
     7   6     0.00  -0.01   0.02    -0.00  -0.00   0.00    -0.12  -0.03   0.00
     8   6    -0.01   0.04  -0.11    -0.01   0.03  -0.10    -0.00  -0.10  -0.03
     9   6     0.03  -0.02   0.01     0.03  -0.02  -0.00     0.02   0.01  -0.02
    10   6    -0.03   0.01   0.02    -0.03   0.02   0.02     0.03  -0.01   0.02
    11   6    -0.08  -0.01  -0.01     0.05   0.00   0.01    -0.00  -0.00  -0.00
    12   6     0.00   0.03  -0.03    -0.00  -0.01   0.01     0.00  -0.00   0.00
    13   8    -0.00  -0.01   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.24  -0.04   0.18     0.26   0.03  -0.18    -0.06  -0.00   0.04
    16   1    -0.11   0.02  -0.02     0.28  -0.07   0.10    -0.05   0.01  -0.00
    17   1     0.06   0.01  -0.02    -0.23  -0.03   0.15    -0.04  -0.00   0.01
    18   1     0.25  -0.06   0.11    -0.27   0.07  -0.11    -0.05   0.02  -0.02
    19   1     0.12   0.11   0.01     0.22   0.13   0.02     0.27   0.31   0.01
    20   1    -0.13  -0.10  -0.03    -0.20  -0.11  -0.02     0.29   0.28   0.13
    21   1     0.05  -0.18   0.50     0.05  -0.14   0.45     0.20   0.64   0.20
    22   1     0.04   0.05  -0.01     0.05   0.06   0.02     0.02  -0.07   0.09
    23   1    -0.10   0.06   0.06    -0.10   0.05   0.10    -0.02  -0.01   0.16
    24   1    -0.06   0.04   0.12    -0.05   0.06   0.14    -0.08   0.05   0.09
    25   1     0.08  -0.11   0.06     0.07  -0.13   0.06    -0.09   0.10  -0.03
    26   1     0.10  -0.08  -0.00     0.12  -0.09   0.02    -0.06   0.09  -0.13
    27   1    -0.04  -0.03  -0.03    -0.05  -0.07  -0.01     0.00   0.01  -0.12
    28   1     0.54  -0.06   0.10    -0.38   0.02  -0.07     0.01   0.00   0.00
    29   6     0.02   0.01  -0.01    -0.01  -0.01   0.02     0.00   0.00   0.00
    30   1     0.00  -0.02   0.08    -0.00   0.00  -0.02    -0.00  -0.00   0.00
    31   1    -0.07  -0.03  -0.04     0.03  -0.01   0.02    -0.01  -0.01  -0.00
    32   1     0.03  -0.02   0.03    -0.02  -0.01  -0.06    -0.00  -0.00  -0.01
    33   1    -0.06  -0.00   0.04     0.03  -0.00  -0.06    -0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1405.5889              1417.9679              1425.2925
 Red. masses --      1.2774                 1.2304                 1.2480
 Frc consts  --      1.4870                 1.4576                 1.4937
 IR Inten    --      8.3453                 3.4588                 7.7220
 RamAct Fr= 1--      0.0260                 1.3669                 2.7762
  Dep-P Fr= 1--      0.7451                 0.5765                 0.5314
  Dep-U Fr= 1--      0.8539                 0.7313                 0.6940
 Alpha2 Fr= 1--      0.0000                 0.0045                 0.0117
 Beta2  Fr= 1--      0.0037                 0.1666                 0.3211
 AlphaG Fr= 1--     -0.0001                -0.0103                -0.0018
 Gamma2 Fr= 1--      0.0588                -0.0751                 0.0051
 Delta2 Fr= 1--      0.0265                 0.0407                 0.0346
 Raman1 Fr= 1--       0.104                  5.467                 11.105
 ROA1   Fr= 1--       6.497                 -5.910                  1.595
 CID1   Fr= 1--      62.504                 -1.081                  0.144
 Raman2 Fr= 1--       0.044                  1.999                  3.853
 ROA2   Fr= 1--       1.200                 -2.129                 -0.155
 CID2   Fr= 1--      27.032                 -1.065                 -0.040
 Raman3 Fr= 1--       0.089                  3.999                  7.707
 ROA3   Fr= 1--       6.497                 -5.910                  1.595
 CID3   Fr= 1--      73.198                 -1.478                  0.207
 RC180  Fr= 1--       0.708                  0.463                  0.388
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00     0.00  -0.01   0.02    -0.01  -0.00  -0.00
     3   6     0.01  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00   0.01     0.01  -0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.01   0.00   0.00     0.00   0.00  -0.01     0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.04   0.01  -0.00
     8   6     0.01  -0.02   0.05    -0.00   0.00  -0.00    -0.00   0.03   0.01
     9   6    -0.00  -0.01  -0.10     0.00  -0.00   0.00     0.01  -0.03  -0.09
    10   6    -0.02   0.08  -0.07     0.00  -0.00   0.00     0.02  -0.08   0.05
    11   6    -0.00   0.00  -0.00    -0.00  -0.01   0.01    -0.00   0.00   0.00
    12   6     0.00   0.00  -0.00    -0.01   0.03  -0.03    -0.00   0.00  -0.00
    13   8    -0.00  -0.00  -0.00     0.00  -0.00   0.01    -0.00  -0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    15   1    -0.02   0.00   0.01     0.02   0.01  -0.02     0.01  -0.00  -0.01
    16   1    -0.04   0.01  -0.02    -0.01   0.00  -0.01     0.01  -0.00   0.00
    17   1     0.03   0.00  -0.03    -0.05  -0.01   0.02     0.01   0.00  -0.00
    18   1     0.02  -0.00   0.00    -0.04   0.01  -0.01     0.01  -0.01   0.00
    19   1    -0.05  -0.05  -0.01     0.03   0.01   0.00    -0.12  -0.05  -0.02
    20   1     0.06   0.05   0.02    -0.03  -0.01   0.00    -0.12  -0.06   0.00
    21   1    -0.01   0.06  -0.15     0.00  -0.00   0.01    -0.05  -0.14  -0.04
    22   1     0.12   0.03   0.39    -0.00   0.00  -0.01     0.14   0.11   0.37
    23   1    -0.09  -0.07   0.37    -0.00   0.00  -0.01    -0.16  -0.02   0.36
    24   1    -0.06   0.24   0.28     0.00  -0.01  -0.00    -0.07   0.23   0.29
    25   1     0.10  -0.36   0.06    -0.00   0.01  -0.00    -0.10   0.35  -0.07
    26   1     0.17  -0.17   0.31    -0.00   0.00  -0.01    -0.22   0.19  -0.25
    27   1    -0.04  -0.28   0.31    -0.00   0.01  -0.01     0.07   0.32  -0.24
    28   1     0.04  -0.00   0.00     0.03  -0.06  -0.01     0.00  -0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.07  -0.07  -0.09     0.00   0.00   0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.02   0.08     0.00  -0.00  -0.00
    31   1     0.01   0.02   0.00     0.34   0.42   0.17    -0.00  -0.00  -0.00
    32   1     0.00   0.01   0.02     0.07   0.35   0.42     0.00  -0.00   0.00
    33   1     0.01   0.00   0.02     0.38   0.10   0.43    -0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1461.0844              1489.2662              1489.8677
 Red. masses --      2.4416                 1.0407                 1.0978
 Frc consts  --      3.0709                 1.3600                 1.4357
 IR Inten    --      6.3943                 2.6121                 3.3894
 RamAct Fr= 1--      0.3822                 9.0408                13.9049
  Dep-P Fr= 1--      0.2044                 0.7500                 0.7197
  Dep-U Fr= 1--      0.3395                 0.8571                 0.8370
 Alpha2 Fr= 1--      0.0051                 0.0000                 0.0073
 Beta2  Fr= 1--      0.0216                 1.2915                 1.9397
 AlphaG Fr= 1--      0.0416                -0.0002                -0.0040
 Gamma2 Fr= 1--     -0.3616                 0.0270                -0.6594
 Delta2 Fr= 1--     -0.3074                -0.1700                 0.1599
 Raman1 Fr= 1--       1.529                 36.163                 55.620
 ROA1   Fr= 1--     -44.547                 -2.848                -58.183
 CID1   Fr= 1--     -29.140                 -0.079                 -1.046
 Raman2 Fr= 1--       0.259                 15.499                 23.276
 ROA2   Fr= 1--      -6.218                  2.007                -17.104
 CID2   Fr= 1--     -23.965                  0.130                 -0.735
 Raman3 Fr= 1--       0.519                 30.997                 46.552
 ROA3   Fr= 1--     -44.547                 -2.848                -58.183
 CID3   Fr= 1--     -85.840                 -0.092                 -1.250
 RC180  Fr= 1--      -0.321                  0.714                  0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.14   0.02  -0.02    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.02  -0.05   0.14     0.00  -0.00   0.00    -0.01  -0.01  -0.00
     3   6     0.13  -0.00  -0.04     0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.02  -0.05   0.14    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.14   0.02  -0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.13   0.00  -0.05     0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.01  -0.04     0.00  -0.00  -0.00     0.06  -0.05  -0.02
     8   6    -0.00   0.00  -0.01     0.00  -0.00   0.01    -0.01   0.00   0.00
     9   6     0.00  -0.01   0.01     0.04   0.01  -0.00    -0.01   0.01   0.00
    10   6     0.00   0.00   0.01    -0.04  -0.01   0.00    -0.01   0.01   0.01
    11   6    -0.04   0.02  -0.04     0.00   0.00  -0.00     0.00   0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1     0.22   0.07  -0.29     0.01   0.01  -0.01     0.02   0.00  -0.01
    16   1    -0.31   0.12  -0.23    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   1     0.25   0.07  -0.30     0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1    -0.28   0.10  -0.22    -0.01  -0.00  -0.01     0.02  -0.00   0.01
    19   1     0.21   0.05   0.01    -0.01   0.01  -0.00    -0.34   0.49  -0.22
    20   1    -0.21  -0.05   0.03    -0.00   0.00   0.01    -0.26   0.23   0.53
    21   1     0.00  -0.01   0.03    -0.01   0.02  -0.07    -0.02  -0.04  -0.01
    22   1     0.01   0.07  -0.02     0.05  -0.13   0.28    -0.06  -0.11  -0.10
    23   1    -0.04   0.03   0.00    -0.17   0.21  -0.26     0.16  -0.13   0.04
    24   1     0.03  -0.02  -0.03    -0.45  -0.19  -0.04     0.10   0.09   0.06
    25   1    -0.04   0.03  -0.00     0.46   0.21   0.01     0.07   0.11  -0.01
    26   1     0.04  -0.02  -0.03     0.11  -0.00  -0.37     0.14  -0.07  -0.13
    27   1    -0.02  -0.04  -0.06     0.01  -0.08   0.31    -0.05  -0.15   0.00
    28   1     0.38  -0.05   0.03    -0.00   0.00  -0.00    -0.00   0.00   0.00
    29   6     0.01   0.01   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1    -0.06  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    32   1    -0.00  -0.04  -0.04     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   1    -0.06  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1495.7117              1497.9054              1501.8923
 Red. masses --      1.0455                 1.0569                 1.0534
 Frc consts  --      1.3781                 1.3972                 1.4000
 IR Inten    --      5.7626                 0.0082                11.5294
 RamAct Fr= 1--      6.4379                 0.4004                 6.6984
  Dep-P Fr= 1--      0.6475                 0.7499                 0.6023
  Dep-U Fr= 1--      0.7860                 0.8571                 0.7518
 Alpha2 Fr= 1--      0.0119                 0.0000                 0.0183
 Beta2  Fr= 1--      0.8434                 0.0572                 0.8393
 AlphaG Fr= 1--      0.0350                 0.0003                 0.1174
 Gamma2 Fr= 1--     -0.3233                 0.2367                 2.1373
 Delta2 Fr= 1--     -1.4790                 0.1650                 1.9572
 Raman1 Fr= 1--      25.752                  1.602                 26.794
 ROA1   Fr= 1--     -78.361                 28.006                267.813
 CID1   Fr= 1--      -3.043                 17.485                  9.995
 Raman2 Fr= 1--      10.121                  0.686                 10.071
 ROA2   Fr= 1--       4.074                  4.362                 35.638
 CID2   Fr= 1--       0.403                  6.355                  3.539
 Raman3 Fr= 1--      20.242                  1.373                 20.143
 ROA3   Fr= 1--     -78.361                 28.006                267.813
 CID3   Fr= 1--      -3.871                 20.401                 13.296
 RC180  Fr= 1--       0.572                  0.714                  0.504
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.01  -0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.01   0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.01
     3   6     0.01  -0.00   0.00    -0.01  -0.00   0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.01     0.01  -0.00  -0.00
     5   6     0.01   0.00  -0.01     0.01  -0.00   0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00   0.00    -0.01   0.00   0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.00   0.00     0.00  -0.01   0.03    -0.00   0.00  -0.00
     9   6     0.00  -0.00   0.00     0.00  -0.04   0.00    -0.00   0.00   0.00
    10   6     0.00  -0.00  -0.00    -0.00   0.03   0.03    -0.00  -0.00  -0.00
    11   6    -0.02  -0.00   0.01     0.00  -0.00   0.00    -0.02   0.03  -0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
    13   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.02  -0.00   0.01    -0.02  -0.01   0.01    -0.00   0.00  -0.00
    16   1    -0.03   0.01  -0.01     0.01  -0.00   0.01    -0.00  -0.00  -0.00
    17   1    -0.01  -0.00   0.00    -0.00  -0.00   0.01    -0.01  -0.02   0.00
    18   1    -0.02   0.00  -0.01     0.02  -0.00   0.01    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.04  -0.03  -0.00     0.00   0.01  -0.00
    20   1     0.00  -0.00   0.00     0.05   0.03   0.01    -0.01  -0.00   0.00
    21   1    -0.00  -0.00  -0.00    -0.01   0.03  -0.08     0.00   0.00   0.00
    22   1     0.00   0.00   0.00     0.12   0.47  -0.01    -0.00  -0.01  -0.00
    23   1    -0.01   0.00  -0.00    -0.35   0.21   0.08     0.01  -0.01   0.00
    24   1    -0.00  -0.00  -0.00     0.14  -0.13  -0.20     0.00   0.00   0.00
    25   1     0.00  -0.00   0.00    -0.17   0.22  -0.05     0.01  -0.00   0.00
    26   1    -0.00   0.00   0.00     0.35  -0.19  -0.14    -0.01   0.00   0.00
    27   1     0.00   0.00   0.00    -0.15  -0.37  -0.28     0.00   0.01   0.01
    28   1     0.07   0.02   0.04    -0.02   0.00  -0.00     0.01  -0.05  -0.03
    29   6    -0.04  -0.01   0.03    -0.00   0.00  -0.00    -0.03   0.04  -0.02
    30   1    -0.00   0.00  -0.02    -0.00   0.00  -0.00    -0.00   0.00  -0.02
    31   1     0.03  -0.46  -0.13     0.02  -0.01   0.00     0.61  -0.24   0.02
    32   1     0.02   0.51   0.05     0.00  -0.01   0.01     0.06  -0.34   0.54
    33   1     0.51   0.11  -0.47    -0.00  -0.00  -0.01    -0.25  -0.06  -0.30
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1508.8860              1512.7628              1551.8558
 Red. masses --      1.0505                 1.0556                 2.4222
 Frc consts  --      1.4091                 1.4233                 3.4368
 IR Inten    --     11.8050                10.4743                24.2525
 RamAct Fr= 1--      0.9057                 3.4285                 0.6508
  Dep-P Fr= 1--      0.6062                 0.6887                 0.7349
  Dep-U Fr= 1--      0.7548                 0.8157                 0.8472
 Alpha2 Fr= 1--      0.0024                 0.0037                 0.0002
 Beta2  Fr= 1--      0.1139                 0.4661                 0.0919
 AlphaG Fr= 1--      0.0016                -0.0000                 0.0024
 Gamma2 Fr= 1--      0.1695                 0.1420                 0.7050
 Delta2 Fr= 1--      0.0738                 0.1793                 0.4360
 Raman1 Fr= 1--       3.623                 13.714                  2.603
 ROA1   Fr= 1--      18.635                 19.367                 81.636
 CID1   Fr= 1--       5.144                  1.412                 31.360
 Raman2 Fr= 1--       1.367                  5.593                  1.103
 ROA2   Fr= 1--       3.478                  1.974                 13.433
 CID2   Fr= 1--       2.544                  0.353                 12.182
 Raman3 Fr= 1--       2.734                 11.186                  2.205
 ROA3   Fr= 1--      18.635                 19.367                 81.636
 CID3   Fr= 1--       6.815                  1.731                 37.016
 RC180  Fr= 1--       0.510                  0.631                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.08  -0.03   0.10
     2   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.16  -0.01  -0.02
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.11   0.04  -0.08
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.15  -0.01  -0.02
     5   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.09  -0.03   0.11
     6   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     7   6     0.02  -0.02  -0.01     0.01  -0.00  -0.00    -0.03   0.00   0.00
     8   6     0.03  -0.01  -0.01    -0.02  -0.04  -0.01    -0.00  -0.01  -0.00
     9   6     0.03  -0.01   0.01    -0.01  -0.03   0.01     0.00  -0.00   0.00
    10   6     0.02   0.00  -0.02    -0.02  -0.01  -0.03     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.03   0.00   0.01
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.01
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1    -0.00   0.00   0.00    -0.01  -0.01   0.00     0.39   0.03  -0.21
    16   1    -0.01   0.00  -0.00    -0.01   0.00  -0.00     0.43  -0.09   0.11
    17   1    -0.01  -0.00   0.01    -0.01   0.00   0.00     0.43   0.03  -0.24
    18   1    -0.00   0.00   0.00    -0.01  -0.01  -0.01     0.44  -0.08   0.11
    19   1    -0.12   0.22  -0.09    -0.03   0.07  -0.02    -0.04   0.02  -0.00
    20   1    -0.09   0.11   0.23    -0.02   0.04   0.07    -0.04   0.02   0.02
    21   1     0.02  -0.05  -0.02     0.01   0.07   0.02     0.01   0.05   0.02
    22   1     0.10   0.12   0.22     0.06   0.45  -0.19     0.01   0.02   0.00
    23   1    -0.29   0.28  -0.20    -0.20   0.07   0.21    -0.03   0.02   0.00
    24   1    -0.29  -0.23  -0.14     0.36  -0.02  -0.17    -0.00  -0.02  -0.01
    25   1    -0.27  -0.29   0.02     0.38  -0.10   0.05    -0.00  -0.02   0.00
    26   1    -0.22   0.07   0.37    -0.23   0.17  -0.08    -0.02   0.01   0.01
    27   1     0.06   0.23  -0.11     0.12   0.24   0.40     0.01   0.02   0.01
    28   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.03   0.00   0.01
    29   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.01
    31   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.04  -0.01
    32   1    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.06   0.02
    33   1    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.06   0.01  -0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1617.0236              1658.0384              1809.4309
 Red. masses --      5.9298                 5.7996                 9.5570
 Frc consts  --      9.1353                 9.3938                18.4355
 IR Inten    --      0.0349                 1.3501               327.2990
 RamAct Fr= 1--      1.6459               180.5916                26.0490
  Dep-P Fr= 1--      0.5610                 0.4527                 0.1645
  Dep-U Fr= 1--      0.7187                 0.6233                 0.2825
 Alpha2 Fr= 1--      0.0059                 1.0949                 0.3881
 Beta2  Fr= 1--      0.1972                18.7599                 1.2264
 AlphaG Fr= 1--     -0.0889                 0.1797                -0.0849
 Gamma2 Fr= 1--      0.0638                -0.3329                 3.1200
 Delta2 Fr= 1--     -0.1685                -0.1394                -3.4956
 Raman1 Fr= 1--       6.584                722.366                104.196
 ROA1   Fr= 1--       0.731                -36.418                187.658
 CID1   Fr= 1--       0.111                 -0.050                  1.801
 Raman2 Fr= 1--       2.366                225.119                 14.717
 ROA2   Fr= 1--       2.879                 -6.873                102.844
 CID2   Fr= 1--       1.217                 -0.031                  6.988
 Raman3 Fr= 1--       4.732                450.238                 29.434
 ROA3   Fr= 1--       0.731                -36.418                187.658
 CID3   Fr= 1--       0.155                 -0.081                  6.376
 RC180  Fr= 1--       0.437                  0.247                 -0.435
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.06   0.21     0.28   0.01  -0.11     0.01  -0.00  -0.00
     2   6    -0.03   0.11  -0.32    -0.21   0.01   0.03    -0.00   0.00   0.00
     3   6    -0.12   0.08  -0.18    -0.28   0.05  -0.04    -0.01   0.00  -0.00
     4   6     0.04  -0.11   0.32     0.19  -0.02  -0.02     0.03  -0.00  -0.01
     5   6     0.07   0.06  -0.20    -0.27  -0.00   0.11    -0.01  -0.00   0.01
     6   6     0.11  -0.07   0.18     0.30  -0.05   0.04     0.01  -0.00  -0.00
     7   6     0.00  -0.01   0.04     0.03  -0.01  -0.01     0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.01     0.00   0.01   0.00     0.00   0.00   0.00
     9   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6    -0.02   0.02  -0.04    -0.02  -0.00   0.01     0.01  -0.06  -0.04
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.02    -0.12   0.42   0.55
    13   8     0.00  -0.00  -0.00    -0.00   0.01   0.01     0.07  -0.24  -0.37
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.03  -0.05
    15   1     0.31  -0.02  -0.05    -0.26  -0.06   0.27    -0.01  -0.00   0.01
    16   1     0.31  -0.03  -0.03     0.28  -0.10   0.18     0.02   0.01   0.01
    17   1    -0.31   0.01   0.05     0.26   0.06  -0.28     0.03  -0.00  -0.02
    18   1    -0.30   0.02   0.03    -0.31   0.10  -0.20    -0.00   0.00  -0.01
    19   1    -0.21  -0.03  -0.01     0.02   0.01  -0.01    -0.00   0.00  -0.00
    20   1     0.20   0.04  -0.03     0.02   0.00   0.01    -0.00  -0.00   0.00
    21   1    -0.00   0.01  -0.01    -0.01  -0.04  -0.01    -0.00  -0.00  -0.00
    22   1     0.01   0.01   0.01    -0.00  -0.01   0.00     0.00   0.00   0.00
    23   1    -0.02   0.01  -0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
    24   1    -0.01  -0.01  -0.01    -0.00   0.00   0.01     0.00   0.00  -0.00
    25   1     0.00   0.02  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    26   1     0.01  -0.01  -0.01     0.01  -0.01   0.00    -0.00   0.00   0.00
    27   1    -0.00  -0.01  -0.00    -0.00  -0.01  -0.01     0.00   0.00   0.00
    28   1     0.28  -0.05   0.01    -0.00  -0.00   0.00    -0.08   0.23   0.08
    29   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    30   1     0.00  -0.00   0.01     0.00   0.00  -0.01     0.02  -0.08   0.47
    31   1     0.03   0.02   0.01     0.01  -0.00  -0.00     0.01   0.00   0.00
    32   1    -0.00  -0.03   0.01     0.00   0.02   0.01     0.01   0.02   0.02
    33   1    -0.02   0.00   0.01     0.02   0.00   0.00     0.03  -0.01   0.02
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3002.7187              3026.0213              3027.3665
 Red. masses --      1.0816                 1.0346                 1.0486
 Frc consts  --      5.7457                 5.5815                 5.6624
 IR Inten    --     21.7719                35.0566                41.9411
 RamAct Fr= 1--    146.6584                14.3415                58.4795
  Dep-P Fr= 1--      0.4543                 0.7357                 0.6361
  Dep-U Fr= 1--      0.6247                 0.8477                 0.7776
 Alpha2 Fr= 1--      0.8837                 0.0035                 0.1206
 Beta2  Fr= 1--     15.2705                 2.0263                 7.5787
 AlphaG Fr= 1--     -0.0057                 0.0000                -0.0851
 Gamma2 Fr= 1--      0.7030                 0.7777                 0.8220
 Delta2 Fr= 1--     -1.1132                -0.6448                 0.9459
 Raman1 Fr= 1--     586.634                 57.366                233.918
 ROA1   Fr= 1--      31.866                 54.030                109.182
 CID1   Fr= 1--       0.054                  0.942                  0.467
 Raman2 Fr= 1--     183.246                 24.316                 90.944
 ROA2   Fr= 1--      25.777                 23.824                 12.161
 CID2   Fr= 1--       0.141                  0.980                  0.134
 Raman3 Fr= 1--     366.493                 48.631                181.889
 ROA3   Fr= 1--      31.866                 54.030                109.182
 CID3   Fr= 1--       0.087                  1.111                  0.600
 RC180  Fr= 1--       0.249                  0.695                  0.555
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     7   6     0.01  -0.01  -0.01    -0.00   0.00   0.00     0.02  -0.04  -0.02
     8   6    -0.08   0.02   0.01    -0.00  -0.00   0.00     0.01  -0.00  -0.00
     9   6     0.01  -0.00   0.00     0.00  -0.00  -0.03    -0.00  -0.00  -0.03
    10   6     0.01   0.00  -0.00    -0.01   0.03  -0.02     0.00  -0.01   0.02
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.00  -0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    16   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
    19   1    -0.04   0.03   0.18     0.01  -0.01  -0.04    -0.10   0.10   0.48
    20   1    -0.07   0.13  -0.11     0.01  -0.01   0.01    -0.18   0.36  -0.29
    21   1     0.91  -0.20  -0.17     0.01  -0.00  -0.00    -0.16   0.03   0.03
    22   1    -0.08   0.02   0.02    -0.34   0.08   0.07    -0.25   0.06   0.05
    23   1    -0.03  -0.04  -0.01     0.22   0.30   0.07     0.17   0.24   0.06
    24   1    -0.01   0.04  -0.03     0.12  -0.32   0.24     0.10  -0.28   0.20
    25   1    -0.00   0.01   0.05    -0.06   0.11   0.45     0.03  -0.07  -0.29
    26   1    -0.03  -0.04  -0.01    -0.24  -0.33  -0.09     0.14   0.19   0.06
    27   1    -0.08   0.02   0.01     0.38  -0.10  -0.07    -0.20   0.05   0.03
    28   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    32   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    33   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3032.8955              3045.4560              3063.5875
 Red. masses --      1.0477                 1.0362                 1.1039
 Frc consts  --      5.6781                 5.6624                 6.1046
 IR Inten    --     18.7608                27.7217                18.1704
 RamAct Fr= 1--    565.1779               247.4115                58.7108
  Dep-P Fr= 1--      0.0119                 0.0650                 0.7494
  Dep-U Fr= 1--      0.0236                 0.1221                 0.8568
 Alpha2 Fr= 1--     12.2137                 4.7147                 0.0006
 Beta2  Fr= 1--      2.2231                 5.0356                 8.3836
 AlphaG Fr= 1--      0.5501                -0.8368                -0.0388
 Gamma2 Fr= 1--      0.9545                 0.3726                 0.8538
 Delta2 Fr= 1--     -0.4341                 2.9033                 1.1289
 Raman1 Fr= 1--    2260.712                989.646                234.843
 ROA1   Fr= 1--      77.738                128.676                118.093
 CID1   Fr= 1--       0.034                  0.130                  0.503
 Raman2 Fr= 1--      26.677                 60.427                100.603
 ROA2   Fr= 1--      26.380                -14.283                 11.460
 CID2   Fr= 1--       0.989                 -0.236                  0.114
 Raman3 Fr= 1--      53.355                120.853                201.206
 ROA3   Fr= 1--      77.738                128.676                118.093
 CID3   Fr= 1--       1.457                  1.065                  0.587
 RC180  Fr= 1--      -0.953                 -0.756                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.02  -0.04  -0.02     0.00  -0.00  -0.00    -0.01   0.03  -0.09
     8   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00   0.03    -0.00  -0.00   0.00     0.00  -0.01   0.00
    10   6    -0.01   0.02  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.01
    11   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1     0.01  -0.00   0.01     0.00  -0.00   0.00    -0.01   0.01  -0.01
    16   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00  -0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    18   1     0.01   0.00  -0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    19   1    -0.09   0.10   0.45    -0.00   0.00   0.01    -0.14   0.16   0.66
    20   1    -0.16   0.34  -0.26    -0.00   0.00  -0.00     0.26  -0.53   0.39
    21   1    -0.18   0.04   0.03    -0.00   0.00   0.00     0.00  -0.00   0.00
    22   1     0.30  -0.07  -0.06     0.00  -0.00  -0.00    -0.03   0.01   0.01
    23   1    -0.16  -0.22  -0.06    -0.00  -0.00  -0.00     0.03   0.03   0.01
    24   1    -0.09   0.25  -0.18    -0.00   0.00  -0.00    -0.01   0.04  -0.03
    25   1    -0.04   0.07   0.30    -0.00   0.00   0.00     0.01  -0.01  -0.05
    26   1    -0.16  -0.21  -0.06    -0.00  -0.00  -0.00    -0.03  -0.03  -0.01
    27   1     0.29  -0.07  -0.05     0.00  -0.00  -0.00     0.03  -0.01  -0.00
    28   1    -0.00  -0.00   0.00    -0.00  -0.01   0.02    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.04  -0.03  -0.02    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00    -0.08  -0.15   0.40    -0.00  -0.00   0.00
    32   1    -0.01   0.00   0.00     0.67  -0.06  -0.13     0.00  -0.00  -0.00
    33   1     0.00  -0.01   0.00    -0.16   0.55  -0.04    -0.00   0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3084.3543              3085.7927              3088.3366
 Red. masses --      1.0851                 1.1020                 1.1008
 Frc consts  --      6.0823                 6.1823                 6.1858
 IR Inten    --      3.7551                15.5184                50.3847
 RamAct Fr= 1--     61.0338                40.2516               141.7651
  Dep-P Fr= 1--      0.2291                 0.7476                 0.6937
  Dep-U Fr= 1--      0.3728                 0.8556                 0.8191
 Alpha2 Fr= 1--      0.7664                 0.0017                 0.1397
 Beta2  Fr= 1--      3.7922                 5.7396                19.3543
 AlphaG Fr= 1--      0.3987                -0.1048                -0.0075
 Gamma2 Fr= 1--     -4.6412                 3.1968                -0.3729
 Delta2 Fr= 1--     -4.3561                 2.3338                -2.2946
 Raman1 Fr= 1--     244.135                161.006                567.060
 ROA1   Fr= 1--    -584.947                381.576               -109.226
 CID1   Fr= 1--      -2.396                  2.370                 -0.193
 Raman2 Fr= 1--      45.507                 68.875                232.252
 ROA2   Fr= 1--     -76.540                 58.054                  9.407
 CID2   Fr= 1--      -1.682                  0.843                  0.041
 Raman3 Fr= 1--      91.013                137.750                464.504
 ROA3   Fr= 1--    -584.947                381.576               -109.226
 CID3   Fr= 1--      -6.427                  2.770                 -0.235
 RC180  Fr= 1--      -0.254                  0.711                  0.638
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   6     0.00  -0.00   0.00     0.01   0.06  -0.01    -0.00  -0.07   0.01
    10   6     0.00   0.00   0.00    -0.01  -0.04  -0.05    -0.01  -0.04  -0.05
    11   6     0.02   0.03  -0.07     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.01  -0.00   0.01
    16   1     0.02   0.01  -0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1     0.00  -0.00   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1     0.00  -0.00   0.00     0.01   0.00  -0.01     0.00   0.00  -0.01
    19   1     0.00  -0.00  -0.00    -0.01   0.02   0.06    -0.00   0.00   0.01
    20   1     0.00   0.00  -0.00     0.02  -0.05   0.04    -0.01   0.02  -0.01
    21   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.03   0.01   0.01
    22   1    -0.00   0.00   0.00     0.05   0.00  -0.01    -0.12   0.01   0.03
    23   1     0.00   0.00   0.00    -0.28  -0.37  -0.10     0.30   0.39   0.12
    24   1    -0.00   0.00  -0.00     0.13  -0.35   0.27    -0.15   0.40  -0.31
    25   1     0.00  -0.00  -0.01    -0.07   0.11   0.50    -0.06   0.10   0.46
    26   1    -0.01  -0.01  -0.00     0.31   0.41   0.10     0.26   0.34   0.08
    27   1    -0.00   0.00   0.00    -0.07   0.01  -0.00    -0.14   0.03   0.01
    28   1    -0.19  -0.34   0.89    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    29   6    -0.01  -0.01   0.02    -0.00  -0.00   0.00    -0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   1     0.04   0.07  -0.19     0.00   0.00  -0.00     0.00   0.00  -0.00
    32   1     0.07  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    33   1    -0.01   0.03   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3092.0368              3097.1395              3107.0048
 Red. masses --      1.1017                 1.1008                 1.1021
 Frc consts  --      6.2059                 6.2213                 6.2685
 IR Inten    --      6.9290                76.0051                25.2385
 RamAct Fr= 1--     11.7834                63.4786               115.3177
  Dep-P Fr= 1--      0.7480                 0.4664                 0.7084
  Dep-U Fr= 1--      0.8558                 0.6361                 0.8293
 Alpha2 Fr= 1--      0.0004                 0.3638                 0.0833
 Beta2  Fr= 1--      1.6807                 6.7296                15.9386
 AlphaG Fr= 1--      0.0253                -0.0684                 0.1709
 Gamma2 Fr= 1--     -1.8933                -0.5153                -2.5057
 Delta2 Fr= 1--     -0.5067                 1.0020                -4.0281
 Raman1 Fr= 1--      47.134                253.915                461.271
 ROA1   Fr= 1--    -197.970                -17.403               -369.448
 CID1   Fr= 1--      -4.200                 -0.069                 -0.801
 Raman2 Fr= 1--      20.169                 80.756                191.264
 ROA2   Fr= 1--     -41.386                -20.383                -27.913
 CID2   Fr= 1--      -2.052                 -0.252                 -0.146
 Raman3 Fr= 1--      40.337                161.511                382.527
 ROA3   Fr= 1--    -197.970                -17.403               -369.448
 CID3   Fr= 1--      -4.908                 -0.108                 -0.966
 RC180  Fr= 1--       0.712                  0.272                  0.659
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00    -0.01   0.00   0.00    -0.00   0.00   0.00
     9   6     0.06  -0.01   0.01    -0.07  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.06  -0.00   0.02    -0.06  -0.01   0.01    -0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    13   8    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.00   0.00  -0.01     0.00  -0.00   0.01     0.00  -0.00   0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.00   0.00  -0.01     0.00   0.00  -0.01    -0.00  -0.00   0.00
    19   1     0.01  -0.01  -0.03     0.00  -0.00  -0.02     0.00  -0.00  -0.00
    20   1    -0.01   0.02  -0.02     0.01  -0.02   0.01     0.00  -0.00   0.00
    21   1     0.00  -0.00   0.00     0.16  -0.04  -0.03     0.00  -0.00  -0.00
    22   1    -0.55   0.14   0.13     0.56  -0.14  -0.13     0.00  -0.00  -0.00
    23   1    -0.15  -0.23  -0.06     0.20   0.29   0.08     0.00   0.00   0.00
    24   1    -0.05   0.19  -0.14     0.04  -0.15   0.11    -0.00  -0.00   0.00
    25   1     0.01  -0.05  -0.22     0.01  -0.04  -0.16    -0.00  -0.00   0.00
    26   1     0.17   0.25   0.07     0.19   0.28   0.08     0.00   0.00   0.00
    27   1     0.58  -0.16  -0.09     0.53  -0.15  -0.08     0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.02   0.06
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.07  -0.06  -0.02
    30   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    31   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.06   0.14
    32   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.67   0.04   0.13
    33   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.18   0.68  -0.05
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3131.1290              3163.6617              3168.2926
 Red. masses --      1.1003                 1.0868                 1.0879
 Frc consts  --      6.3559                 6.4087                 6.4339
 IR Inten    --     14.9314                10.3252                10.9078
 RamAct Fr= 1--     30.1492                49.5480                62.5940
  Dep-P Fr= 1--      0.6176                 0.7476                 0.5159
  Dep-U Fr= 1--      0.7636                 0.8556                 0.6807
 Alpha2 Fr= 1--      0.0731                 0.0020                 0.2863
 Beta2  Fr= 1--      3.8370                 7.0653                 7.1012
 AlphaG Fr= 1--     -0.0402                -0.0263                -0.2912
 Gamma2 Fr= 1--     -1.6324                 0.5805                -2.3719
 Delta2 Fr= 1--      0.9500                 0.9732                 0.0218
 Raman1 Fr= 1--     120.597                198.192                250.376
 ROA1   Fr= 1--    -126.315                 86.870               -227.003
 CID1   Fr= 1--      -1.047                  0.438                 -0.907
 Raman2 Fr= 1--      46.044                 84.783                 85.214
 ROA2   Fr= 1--     -46.779                  6.146                -57.099
 CID2   Fr= 1--      -1.016                  0.072                 -0.670
 Raman3 Fr= 1--      92.088                169.567                170.428
 ROA3   Fr= 1--    -126.315                 86.870               -227.003
 CID3   Fr= 1--      -1.372                  0.512                 -1.332
 RC180  Fr= 1--       0.527                  0.711                  0.361
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.03  -0.02   0.04    -0.00   0.00  -0.01
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.02   0.02  -0.06     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.02
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.03   0.02  -0.07
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00   0.01  -0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    15   1     0.00  -0.00   0.00    -0.38   0.22  -0.51     0.05  -0.03   0.07
    16   1     0.01   0.01  -0.02    -0.29  -0.18   0.65    -0.00  -0.00   0.00
    17   1    -0.03   0.02  -0.04    -0.02   0.01  -0.02    -0.19   0.11  -0.26
    18   1    -0.00  -0.00   0.01    -0.02  -0.01   0.04    -0.37  -0.23   0.82
    19   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00   0.02
    20   1     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    21   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    23   1     0.00   0.00   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.01
    26   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.01   0.00
    27   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    28   1    -0.04  -0.07   0.19    -0.01  -0.01   0.03     0.00   0.00  -0.00
    29   6     0.02   0.05  -0.07     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    31   1    -0.15  -0.28   0.81    -0.00  -0.00   0.01     0.00   0.01  -0.02
    32   1    -0.20   0.03   0.03    -0.00   0.00   0.00     0.01  -0.00  -0.00
    33   1     0.11  -0.38   0.01     0.00  -0.00  -0.00    -0.00   0.01  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3180.4236              3193.7799              3727.7406
 Red. masses --      1.0937                 1.0924                 1.0641
 Frc consts  --      6.5183                 6.5653                 8.7118
 IR Inten    --     14.8008                 5.5895                66.7496
 RamAct Fr= 1--    126.1079               111.0127               145.7645
  Dep-P Fr= 1--      0.1425                 0.1517                 0.2482
  Dep-U Fr= 1--      0.2494                 0.2634                 0.3976
 Alpha2 Fr= 1--      1.9871                 1.7089                 1.7365
 Beta2  Fr= 1--      5.2415                 4.8731                 9.6603
 AlphaG Fr= 1--      0.2676                -0.0690                -0.3496
 Gamma2 Fr= 1--      2.9951                 1.3555                 4.4275
 Delta2 Fr= 1--     -0.4262                 0.7436                -1.6330
 Raman1 Fr= 1--     504.432                444.051                583.058
 ROA1   Fr= 1--     273.890                153.927                372.787
 CID1   Fr= 1--       0.543                  0.347                  0.639
 Raman2 Fr= 1--      62.897                 58.477                115.923
 ROA2   Fr= 1--      75.292                 26.585                119.324
 CID2   Fr= 1--       1.197                  0.455                  1.029
 Raman3 Fr= 1--     125.795                116.954                231.846
 ROA3   Fr= 1--     273.890                153.927                372.787
 CID3   Fr= 1--       2.177                  1.316                  1.608
 RC180  Fr= 1--      -0.501                 -0.473                 -0.205
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.05     0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.03   0.01  -0.05    -0.00  -0.00   0.00     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.01    -0.05   0.03  -0.06    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.01   0.01  -0.03     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.01  -0.06  -0.01
    15   1     0.42  -0.24   0.55    -0.04   0.02  -0.05    -0.00   0.00  -0.00
    16   1    -0.27  -0.17   0.59     0.02   0.01  -0.04     0.00  -0.00  -0.00
    17   1     0.05  -0.03   0.07     0.53  -0.30   0.70     0.00  -0.00  -0.00
    18   1     0.01   0.01  -0.03    -0.14  -0.08   0.30    -0.00  -0.00   0.00
    19   1     0.00  -0.00  -0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    20   1     0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   1    -0.01   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.01   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    26   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    28   1    -0.01  -0.01   0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.24   0.96   0.11
    31   1    -0.00  -0.00   0.01    -0.01  -0.01   0.04     0.00   0.00  -0.00
    32   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    33   1     0.00  -0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1536.862066268.961776454.32596
           X            0.99974   0.02180   0.00655
           Y           -0.02114   0.99583  -0.08879
           Z           -0.00846   0.08863   0.99603
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05636     0.01382     0.01342
 Rotational constants (GHZ):           1.17430     0.28789     0.27962
 Zero-point vibrational energy     747300.4 (Joules/Mol)
                                  178.60908 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     31.51    55.66    69.07    87.25   130.95
          (Kelvin)            167.91   234.51   287.75   335.08   357.18
                              367.22   387.10   407.70   482.00   516.75
                              563.93   585.11   589.56   609.32   705.49
                              804.64   842.99   879.37   920.54   954.31
                             1027.03  1092.05  1129.34  1181.39  1192.12
                             1229.51  1231.11  1250.62  1295.94  1356.56
                             1381.12  1394.75  1400.95  1408.29  1441.51
                             1504.23  1524.87  1565.30  1593.95  1597.32
                             1656.73  1707.95  1731.40  1747.70  1759.92
                             1780.35  1791.31  1867.56  1884.50  1929.43
                             1937.01  1947.18  1975.54  1980.31  1997.33
                             2022.33  2040.14  2050.68  2102.17  2142.72
                             2143.59  2152.00  2155.15  2160.89  2170.95
                             2176.53  2232.77  2326.54  2385.55  2603.37
                             4320.24  4353.77  4355.71  4363.66  4381.73
                             4407.82  4437.70  4439.77  4443.43  4448.75
                             4456.09  4470.29  4505.00  4551.80  4558.47
                             4575.92  4595.14  5363.39
 
 Zero-point correction=                           0.284632 (Hartree/Particle)
 Thermal correction to Energy=                    0.300138
 Thermal correction to Enthalpy=                  0.301082
 Thermal correction to Gibbs Free Energy=         0.240431
 Sum of electronic and zero-point Energies=           -656.737336
 Sum of electronic and thermal Energies=              -656.721830
 Sum of electronic and thermal Enthalpies=            -656.720886
 Sum of electronic and thermal Free Energies=         -656.781537
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.339             58.569            127.650
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.497
 Vibrational            186.562             52.607             53.278
 Vibration     1          0.593              1.985              6.454
 Vibration     2          0.594              1.981              5.325
 Vibration     3          0.595              1.978              4.898
 Vibration     4          0.597              1.973              4.436
 Vibration     5          0.602              1.956              3.638
 Vibration     6          0.608              1.936              3.154
 Vibration     7          0.623              1.888              2.515
 Vibration     8          0.638              1.840              2.133
 Vibration     9          0.654              1.791              1.857
 Vibration    10          0.662              1.766              1.743
 Vibration    11          0.666              1.754              1.694
 Vibration    12          0.673              1.730              1.602
 Vibration    13          0.682              1.704              1.513
 Vibration    14          0.716              1.606              1.236
 Vibration    15          0.734              1.556              1.126
 Vibration    16          0.759              1.487              0.993
 Vibration    17          0.771              1.456              0.938
 Vibration    18          0.774              1.449              0.927
 Vibration    19          0.786              1.419              0.880
 Vibration    20          0.846              1.271              0.683
 Vibration    21          0.915              1.119              0.525
 Vibration    22          0.943              1.062              0.475
 Vibration    23          0.970              1.008              0.431
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.256657-110       -110.590646       -254.644373
 Total V=0       0.214154D+21         20.330727         46.813229
 Vib (Bot)       0.781627-125       -125.107000       -288.069514
 Vib (Bot)    1  0.945881D+01          0.975836          2.246946
 Vib (Bot)    2  0.534842D+01          0.728226          1.676801
 Vib (Bot)    3  0.430722D+01          0.634197          1.460293
 Vib (Bot)    4  0.340516D+01          0.532137          1.225291
 Vib (Bot)    5  0.225860D+01          0.353838          0.814743
 Vib (Bot)    6  0.175235D+01          0.243622          0.560960
 Vib (Bot)    7  0.123917D+01          0.093132          0.214445
 Vib (Bot)    8  0.996983D+00         -0.001312         -0.003021
 Vib (Bot)    9  0.844621D+00         -0.073338         -0.168868
 Vib (Bot)   10  0.786827D+00         -0.104121         -0.239748
 Vib (Bot)   11  0.762766D+00         -0.117608         -0.270803
 Vib (Bot)   12  0.718659D+00         -0.143477         -0.330368
 Vib (Bot)   13  0.677282D+00         -0.169230         -0.389667
 Vib (Bot)   14  0.556014D+00         -0.254914         -0.586961
 Vib (Bot)   15  0.510618D+00         -0.291904         -0.672133
 Vib (Bot)   16  0.457399D+00         -0.339705         -0.782200
 Vib (Bot)   17  0.436127D+00         -0.360387         -0.829822
 Vib (Bot)   18  0.431840D+00         -0.364678         -0.839701
 Vib (Bot)   19  0.413501D+00         -0.383523         -0.883095
 Vib (Bot)   20  0.338046D+00         -0.471024         -1.084573
 Vib (Bot)   21  0.278113D+00         -0.555779         -1.279729
 Vib (Bot)   22  0.258538D+00         -0.587475         -1.352711
 Vib (Bot)   23  0.241490D+00         -0.617100         -1.420926
 Vib (V=0)       0.652188D+06          5.814373         13.388088
 Vib (V=0)    1  0.997201D+01          0.998783          2.299783
 Vib (V=0)    2  0.587174D+01          0.768767          1.770151
 Vib (V=0)    3  0.483615D+01          0.684499          1.576118
 Vib (V=0)    4  0.394167D+01          0.595680          1.371605
 Vib (V=0)    5  0.281328D+01          0.449213          1.034350
 Vib (V=0)    6  0.232229D+01          0.365917          0.842554
 Vib (V=0)    7  0.183625D+01          0.263931          0.607723
 Vib (V=0)    8  0.161534D+01          0.208263          0.479543
 Vib (V=0)    9  0.148152D+01          0.170708          0.393069
 Vib (V=0)   10  0.143225D+01          0.156020          0.359249
 Vib (V=0)   11  0.141204D+01          0.149846          0.345034
 Vib (V=0)   12  0.137548D+01          0.138455          0.318805
 Vib (V=0)   13  0.134185D+01          0.127704          0.294049
 Vib (V=0)   14  0.124776D+01          0.096133          0.221354
 Vib (V=0)   15  0.121465D+01          0.084453          0.194460
 Vib (V=0)   16  0.117765D+01          0.071017          0.163524
 Vib (V=0)   17  0.116348D+01          0.065759          0.151416
 Vib (V=0)   18  0.116067D+01          0.064709          0.148998
 Vib (V=0)   19  0.114883D+01          0.060257          0.138746
 Vib (V=0)   20  0.110355D+01          0.042793          0.098534
 Vib (V=0)   21  0.107214D+01          0.030252          0.069659
 Vib (V=0)   22  0.106289D+01          0.026487          0.060989
 Vib (V=0)   23  0.105526D+01          0.023361          0.053790
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.282284D+07          6.450686         14.853254
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111100000000000                           8665555444444443333333222222111100009999998888877766655444433322222211     
     2        98663099888643220                           051510099986210877544194321085108640776640655228516418592109538654306196432
     8        40841772864453763                           987239286091586863361085735371088052949031965915943016904072953958303711892
 
     X        XXXXXXXXXXXXXXXXX                           XX XXXX XXXXXXXXXXXXXXXXXXXXXXXXXXXXX X XXXXXXXXXXXXXXXXXXXXXXXXX   X  XXXX
     X             XX X   X XX                            X                           X    X X      X        XXX                     
     X              X X     X                             X                           X    X                 X X                     
     X              X                                     X                           X    X                                         
                    X                                     X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000016721    0.000003309    0.000007701
      2        6          -0.000000552    0.000005020   -0.000017200
      3        6           0.000019258   -0.000000280    0.000000871
      4        6          -0.000003579   -0.000013293    0.000002095
      5        6          -0.000009958    0.000004959    0.000004556
      6        6           0.000014302   -0.000000482    0.000005919
      7        6          -0.000008578   -0.000001339    0.000003270
      8        6           0.000000922    0.000002956    0.000001705
      9        6           0.000001363   -0.000004764   -0.000011996
     10        6           0.000002443   -0.000007684    0.000007161
     11        6           0.000018029    0.000014361    0.000001318
     12        6          -0.000004360    0.000008445   -0.000092390
     13        8          -0.000005339    0.000016095    0.000037841
     14        8           0.000003966   -0.000018816    0.000052425
     15        1           0.000002993   -0.000002129   -0.000001545
     16        1          -0.000003488    0.000003544    0.000000234
     17        1           0.000005593   -0.000000754    0.000002399
     18        1          -0.000002863   -0.000003471    0.000000722
     19        1           0.000004998   -0.000002235    0.000001084
     20        1           0.000001306    0.000000637   -0.000000732
     21        1           0.000003226    0.000001055   -0.000000580
     22        1          -0.000003331    0.000001944    0.000005926
     23        1           0.000000781    0.000000535   -0.000001448
     24        1          -0.000001727    0.000000484   -0.000000227
     25        1          -0.000000353   -0.000001486   -0.000002116
     26        1          -0.000000379    0.000000426   -0.000000489
     27        1          -0.000000225    0.000004190   -0.000002484
     28        1          -0.000001076    0.000001824   -0.000000275
     29        6          -0.000011055   -0.000009114   -0.000000093
     30        1           0.000000292    0.000003588   -0.000001558
     31        1          -0.000003176   -0.000004359    0.000005838
     32        1          -0.000001519   -0.000001361   -0.000005922
     33        1          -0.000001194   -0.000001800   -0.000002008
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000092390 RMS     0.000012937
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.214003D+03 -0.181353D+01 -0.792954D+00
      2  -0.181353D+01  0.137306D+03 -0.689302D+01
      3  -0.792954D+00 -0.689302D+01  0.155783D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.404184D+01 -0.733981D+01  0.214935D+02
      2   0.101466D+02 -0.844421D+01  0.448394D+02
      3  -0.127275D+03 -0.331177D+02  0.124012D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.161577D+03  0.556600D+02 -0.323636D+01
      2  -0.892907D+02 -0.285610D+02  0.159950D+02
      3  -0.722863D+02 -0.270990D+02 -0.127586D+02
      4  -0.219784D+02  0.644700D+02 -0.258041D+02
      5  -0.638023D+01 -0.283784D+02  0.963281D+02
      6  -0.119981D+02  0.126862D+02 -0.255627D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.116437D+02  0.714900D+00  0.130164D+01 -0.231336D+01  0.170691D+01
      2   0.714900D+00  0.156873D+01 -0.789839D+00  0.170691D+01 -0.346965D+01
      3   0.130164D+01 -0.789839D+00  0.277422D+01  0.193899D+01  0.226413D+01
                 6             7             8             9            10 
      1   0.193899D+01  0.146701D+02  0.152874D+01 -0.106920D+01  0.342294D+02
      2   0.226413D+01  0.152874D+01 -0.794163D-01  0.148433D+01  0.161380D+01
      3   0.855897D+00 -0.106920D+01  0.148433D+01  0.875051D+00 -0.157588D+01
                11            12            13            14            15 
      1   0.161380D+01 -0.157588D+01 -0.589499D+00  0.443319D+01  0.112067D+01
      2   0.184782D+01 -0.715670D+00  0.443319D+01 -0.133262D+01 -0.137471D+00
      3  -0.715670D+00  0.287386D+01  0.112067D+01 -0.137471D+00 -0.663279D+00
                16            17            18            19            20 
      1  -0.355598D+01  0.874713D+00  0.140176D+01  0.155066D+02 -0.905483D+00
      2   0.874713D+00  0.315995D+00 -0.118138D+01 -0.905483D+00 -0.209911D+01
      3   0.140176D+01 -0.118138D+01 -0.659328D+00 -0.154482D+01  0.148089D+01
                21            22            23            24            25 
      1  -0.154482D+01 -0.427488D+01 -0.174076D+01 -0.259803D+00  0.128665D+02
      2   0.148089D+01 -0.174076D+01 -0.256351D+01  0.246052D+01 -0.222228D+01
      3  -0.157563D+01 -0.259803D+00  0.246052D+01  0.204399D+01  0.135471D+00
                26            27            28            29            30 
      1  -0.222228D+01  0.135471D+00 -0.327750D+02  0.122793D+01  0.112456D+01
      2   0.138293D+01  0.137226D+01  0.122793D+01 -0.174419D+01  0.166819D+00
      3   0.137226D+01  0.156212D+01  0.112456D+01  0.166819D+00 -0.278277D+01
                31            32            33            34            35 
      1   0.348359D+01 -0.523321D+01 -0.169053D+01  0.334618D+01 -0.148558D+01
      2  -0.523321D+01  0.843240D+00  0.456363D+00 -0.148558D+01 -0.915659D-01
      3  -0.169053D+01  0.456363D+00 -0.312127D-01 -0.723295D+00 -0.866128D+00
                36            37            38            39            40 
      1  -0.723295D+00  0.113896D+02 -0.990906D+00 -0.817442D+00  0.472127D+01
      2  -0.866128D+00 -0.990906D+00 -0.779993D+00 -0.354933D+00 -0.197585D+01
      3   0.431501D+00 -0.817442D+00 -0.354933D+00 -0.290550D+01 -0.115253D+01
                41            42            43            44            45 
      1  -0.197585D+01 -0.115253D+01 -0.149718D+02  0.463495D+00  0.770771D+00
      2   0.236747D+01 -0.224446D+01  0.463495D+00 -0.105639D+01 -0.940233D+00
      3  -0.224446D+01 -0.117726D+01  0.770771D+00 -0.940233D+00 -0.128404D+01
                46            47            48            49            50 
      1  -0.138763D+02  0.912930D+00  0.871626D+00  0.610167D+01  0.226038D+01
      2   0.912930D+00  0.797613D+00 -0.672051D-01  0.226038D+01  0.179375D+01
      3   0.871626D+00 -0.672051D-01  0.156083D+01 -0.413234D+00 -0.288740D+01
                51            52            53            54            55 
      1  -0.413234D+00 -0.112955D+02  0.571299D+00 -0.370061D+00 -0.173213D+02
      2  -0.288740D+01  0.571299D+00 -0.144244D+01 -0.899642D+00 -0.298532D+01
      3  -0.227524D+01 -0.370061D+00 -0.899642D+00 -0.149518D+01 -0.268978D+00
                56            57            58            59            60 
      1  -0.298532D+01 -0.268978D+00 -0.802583D+01 -0.745253D+01 -0.338558D+00
      2  -0.390767D+01  0.110365D-01 -0.745253D+01  0.289477D+00 -0.197997D+01
      3   0.110365D-01 -0.167960D+01 -0.338558D+00 -0.197997D+01  0.202635D+01
                61            62            63            64            65 
      1  -0.166658D+01 -0.606368D+00 -0.335513D+01 -0.405050D+01  0.447168D+01
      2  -0.606368D+00 -0.259143D+01  0.310820D+01  0.447168D+01  0.301618D+01
      3  -0.335513D+01  0.310820D+01  0.462009D+01  0.229621D+01 -0.260241D+00
                66            67            68            69            70 
      1   0.229621D+01  0.148380D+02  0.549479D+01 -0.689293D-01  0.570634D+01
      2  -0.260241D+00  0.549479D+01  0.199867D+01  0.320204D+01  0.760758D+00
      3   0.767743D+00 -0.689293D-01  0.320204D+01 -0.278429D+01  0.246719D+00
                71            72            73            74            75 
      1   0.760758D+00  0.246719D+00  0.279667D+01 -0.341890D+01 -0.241611D+01
      2   0.330721D+01 -0.253411D+01 -0.341890D+01 -0.341657D+01 -0.980548D-01
      3  -0.253411D+01 -0.411579D+01 -0.241611D+01 -0.980548D-01 -0.153813D+01
                76            77            78            79            80 
      1  -0.538801D+01 -0.458857D+01 -0.130218D+00 -0.282675D+01  0.177839D+00
      2  -0.458857D+01 -0.144248D+01 -0.436394D+01  0.177839D+00 -0.315796D+01
      3  -0.130218D+00 -0.436394D+01  0.292335D+01 -0.464336D+00  0.257059D+01
                81            82            83            84            85 
      1  -0.464336D+00  0.317391D+01 -0.386737D+01 -0.130950D+01 -0.571690D+01
      2   0.257059D+01 -0.386737D+01 -0.376101D+01  0.313270D+00 -0.391792D+01
      3   0.218187D+01 -0.130950D+01  0.313270D+00 -0.100600D+01 -0.173821D+00
                86            87            88            89            90 
      1  -0.391792D+01 -0.173821D+00 -0.204717D+01 -0.901596D+00 -0.723592D+00
      2  -0.289171D+01 -0.233119D+01 -0.901596D+00 -0.315486D+01  0.202244D+01
      3  -0.233119D+01  0.304199D+01 -0.723592D+00  0.202244D+01  0.607746D+01
                91            92            93            94            95 
      1   0.766868D+01  0.184938D+01  0.190928D+01 -0.449079D+01  0.658099D+01
      2   0.184938D+01  0.177944D+01  0.333942D+00  0.658099D+01 -0.414917D+01
      3   0.190928D+01  0.333942D+00  0.160164D+01  0.165664D+01  0.538811D+00
                96            97            98            99           100 
      1   0.165664D+01  0.314693D+01  0.223450D+01  0.255054D+01  0.135593D+01
      2   0.538811D+00  0.223450D+01  0.556354D+00  0.267784D+01 -0.155081D+01
      3   0.216075D+01  0.255054D+01  0.267784D+01 -0.336982D+01 -0.165659D+01
               101           102           103           104           105 
      1  -0.155081D+01 -0.165659D+01 -0.133054D+01 -0.711037D+00  0.142023D+01
      2   0.161354D+00  0.854347D+00 -0.711037D+00  0.300505D+01 -0.190334D+01
      3   0.854347D+00  0.566022D+00  0.142023D+01 -0.190334D+01 -0.336802D+01
               106           107           108           109           110 
      1  -0.498237D+01  0.240256D+01  0.134880D+01 -0.264260D+01  0.187811D+01
      2   0.240256D+01 -0.464938D+01 -0.354792D+01  0.187811D+01 -0.921069D+00
      3   0.134880D+01 -0.354792D+01 -0.210119D+01  0.323857D+01 -0.759974D+00
               111           112           113           114           115 
      1   0.323857D+01  0.420822D+01 -0.319458D+01 -0.188265D+01  0.825881D+01
      2  -0.759974D+00 -0.319458D+01  0.494511D+01  0.395537D+01 -0.371031D+01
      3  -0.135666D+01 -0.188265D+01  0.395537D+01  0.362203D+01 -0.347698D+01
               116           117           118           119           120 
      1  -0.371031D+01 -0.347698D+01 -0.165244D+00 -0.223626D+00 -0.135242D+01
      2   0.546827D+01  0.430512D+01 -0.223626D+00  0.178874D+01 -0.232268D+00
      3   0.430512D+01  0.892015D+01 -0.135242D+01 -0.232268D+00 -0.168014D+00
               121           122           123           124           125 
      1  -0.667530D+00  0.298236D+01 -0.609404D+00 -0.463161D+01  0.971522D+00
      2   0.298236D+01 -0.730290D+01  0.105038D+00  0.971522D+00 -0.112943D+01
      3  -0.609404D+00  0.105038D+00 -0.885004D-01 -0.101524D+01  0.143182D+01
               126           127           128           129           130 
      1  -0.101524D+01  0.336893D+01 -0.102407D+01  0.247936D+01 -0.200629D+01
      2   0.143182D+01 -0.102407D+01  0.909684D+00 -0.103816D+01  0.730711D+00
      3  -0.402729D+01  0.247936D+01 -0.103816D+01  0.218442D+01 -0.129904D+01
               131           132           133           134           135 
      1   0.730711D+00 -0.129904D+01  0.251884D+01 -0.121330D+01  0.290579D+01
      2  -0.900055D+00  0.910884D+00 -0.121330D+01  0.167640D+01 -0.211797D+01
      3   0.910884D+00 -0.200876D+01  0.290579D+01 -0.211797D+01  0.500459D+01
               136           137           138           139           140 
      1  -0.201025D+01 -0.665456D+00  0.203175D+01 -0.363752D+00 -0.216379D+00
      2  -0.665456D+00 -0.344729D+00  0.645455D+00 -0.216379D+00 -0.586874D+00
      3   0.203175D+01  0.645455D+00 -0.222059D+01  0.659912D+00  0.821829D+00
               141           142           143           144           145 
      1   0.659912D+00  0.201529D+01  0.965156D+00 -0.264083D+01 -0.355840D+01
      2   0.821829D+00  0.965156D+00  0.159188D+01 -0.236180D+01  0.918784D+00
      3  -0.218485D+01 -0.264083D+01 -0.236180D+01  0.732916D+01 -0.203196D+01
               146           147           148           149           150 
      1   0.918784D+00 -0.203196D+01  0.152948D+01 -0.585541D+00  0.113977D+01
      2  -0.658746D+00  0.590896D+00 -0.585541D+00  0.612183D+00 -0.580552D+00
      3   0.590896D+00 -0.183914D+01  0.113977D+01 -0.580552D+00  0.183884D+01
               151           152           153           154           155 
      1  -0.245543D+01  0.871792D+00 -0.266070D+01  0.198744D+01  0.626530D+00
      2   0.871792D+00 -0.109677D+01  0.141380D+01  0.626530D+00  0.262812D+00
      3  -0.266070D+01  0.141380D+01 -0.482514D+01 -0.196434D+01 -0.316008D+00
               156           157           158           159           160 
      1  -0.196434D+01  0.979483D-01  0.159485D+00 -0.559125D+00 -0.236423D+01
      2  -0.316008D+00  0.159485D+00  0.284535D+00 -0.536106D+00 -0.845904D+00
      3   0.203775D+01 -0.559125D+00 -0.536106D+00  0.189861D+01  0.278855D+01
               161           162           163           164           165 
      1  -0.845904D+00  0.278855D+01  0.193533D+01 -0.447843D+00 -0.174070D+01
      2  -0.108624D+01  0.140881D+01 -0.447843D+00  0.968261D+00  0.497118D+00
      3   0.140881D+01 -0.724225D+01 -0.174070D+01  0.497118D+00  0.140950D+01
               166           167           168           169           170 
      1   0.126122D+01  0.160410D+01  0.547398D+00 -0.503725D+01  0.818300D+00
      2   0.160410D+01 -0.123749D+01 -0.131379D+01  0.818300D+00 -0.193604D+01
      3   0.547398D+00 -0.131379D+01 -0.142748D+01  0.310720D+01 -0.262001D+01
               171           172           173           174           175 
      1   0.310720D+01  0.364550D+01 -0.186098D+01  0.112196D+01 -0.260431D+01
      2  -0.262001D+01 -0.186098D+01  0.235336D+01 -0.424685D+00  0.330574D+01
      3  -0.653841D+01  0.112196D+01 -0.424685D+00  0.724352D+00 -0.632415D+00
               176           177           178           179           180 
      1   0.330574D+01 -0.632415D+00  0.492945D+01 -0.100259D+01  0.128289D+01
      2  -0.544866D+01  0.151789D+01 -0.100259D+01  0.282383D+01 -0.167102D+01
      3   0.151789D+01 -0.116224D+01  0.128289D+01 -0.167102D+01  0.104934D+01
               181           182           183           184           185 
      1   0.137974D+02 -0.149973D+01 -0.158726D+01 -0.365283D+01  0.111717D+01
      2  -0.149973D+01  0.121147D+01  0.203138D+00  0.111717D+01 -0.107316D+01
      3  -0.158726D+01  0.203138D+00  0.142509D+01  0.135755D+00 -0.667268D+00
               186           187           188           189           190 
      1   0.135755D+00 -0.236059D+01 -0.248846D-01  0.196868D+01 -0.656328D+01
      2  -0.667268D+00 -0.248846D-01 -0.745864D+00  0.117405D+00  0.419521D+00
      3  -0.598967D-01  0.196868D+01  0.117405D+00 -0.266168D+00  0.666030D+00
               191           192           193           194           195 
      1   0.419521D+00  0.666030D+00  0.757681D+00 -0.562654D+00 -0.534990D+00
      2  -0.127420D+01 -0.796979D+00 -0.562654D+00  0.953057D+00  0.868160D+00
      3  -0.796979D+00 -0.194522D+01 -0.534990D+00  0.868160D+00  0.402849D+00
               196           197           198           199           200 
      1   0.912054D+00 -0.302411D+00 -0.793076D+00  0.418438D+01  0.313776D+01
      2  -0.302411D+00  0.641850D+00  0.146095D+00  0.313776D+01  0.294851D+01
      3  -0.793076D+00  0.146095D+00  0.107067D+01  0.216892D+01  0.127908D+01
               201           202           203           204           205 
      1   0.216892D+01  0.389175D+01  0.393387D+01  0.191867D+01  0.113712D+01
      2   0.127908D+01  0.393387D+01  0.529901D+01  0.266238D+01  0.885166D+00
      3   0.184935D+01  0.191867D+01  0.266238D+01  0.207979D+01  0.152312D+01
               206           207           208           209           210 
      1   0.885166D+00  0.152312D+01  0.130482D+01 -0.674503D+00  0.161162D+01
      2   0.133643D+01  0.119557D+01 -0.674503D+00  0.127624D+01 -0.656135D+00
      3   0.119557D+01  0.128275D+01  0.161162D+01 -0.656135D+00  0.159045D+01
               211           212           213           214           215 
      1  -0.141610D+01  0.129093D+01 -0.127387D+01  0.159193D+01 -0.677829D+00
      2   0.129093D+01 -0.326955D+01  0.259990D+01 -0.677829D+00  0.207607D+01
      3  -0.127387D+01  0.259990D+01 -0.364851D+01  0.159857D+01 -0.217652D+01
               216           217           218           219           220 
      1   0.159857D+01  0.366882D+00  0.381328D+00 -0.115734D+01 -0.426551D-01
      2  -0.217652D+01  0.381328D+00  0.592995D+00 -0.882188D-01  0.366690D+00
      3   0.410079D+01 -0.115734D+01 -0.882188D-01  0.109445D+01  0.840811D-01
               221           222           223           224           225 
      1   0.366690D+00  0.840811D-01 -0.151263D+01 -0.299434D+00  0.138989D+01
      2  -0.142742D+00 -0.684628D+00 -0.299434D+00 -0.127029D+01  0.286091D+00
      3  -0.684628D+00 -0.132464D+01  0.138989D+01  0.286091D+00 -0.892867D+01
               226           227           228           229           230 
      1   0.371854D+01  0.369659D+01 -0.810401D-01  0.347775D+01  0.442818D+01
      2   0.369659D+01  0.410575D+01 -0.271695D+00  0.442818D+01  0.751570D+01
      3  -0.810401D-01 -0.271695D+00  0.967006D+00 -0.192752D+00 -0.132635D+00
               231           232           233           234           235 
      1  -0.192752D+00  0.999777D+00  0.746858D+00  0.827385D+00 -0.662961D+01
      2  -0.132635D+00  0.746858D+00  0.156398D+01  0.674682D+00  0.639431D+00
      3   0.706360D+00  0.827385D+00  0.674682D+00 -0.171482D+00  0.609319D+00
               236           237           238           239           240 
      1   0.639431D+00  0.609319D+00  0.973971D+00 -0.105154D+01  0.171754D+00
      2  -0.220651D+01  0.385296D+00 -0.105154D+01  0.154378D+01  0.135611D+00
      3   0.385296D+00 -0.107021D+01  0.171754D+00  0.135611D+00  0.137383D+00
               241           242           243           244           245 
      1   0.856549D+00 -0.208718D-01 -0.492124D+00 -0.186009D-01 -0.874696D+00
      2  -0.208718D-01  0.671227D+00  0.114725D+00 -0.874696D+00 -0.649707D+00
      3  -0.492124D+00  0.114725D+00 -0.401724D+00  0.123810D+01  0.234162D+00
               246           247           248           249           250 
      1   0.123810D+01 -0.125685D+01 -0.114544D+01  0.387925D+00  0.259223D+01
      2   0.234162D+00 -0.114544D+01 -0.861965D+00  0.114041D+01  0.427100D+00
      3  -0.114345D+01  0.387925D+00  0.114041D+01 -0.153175D+01 -0.185642D+01
               251           252           253           254           255 
      1   0.427100D+00 -0.185642D+01  0.802787D+01 -0.119744D+01 -0.206567D+01
      2   0.152006D+01 -0.136544D+01 -0.119744D+01 -0.318844D+01 -0.103011D+01
      3  -0.136544D+01  0.529011D+01 -0.206567D+01 -0.103011D+01 -0.154522D+01
               256           257           258           259           260 
      1  -0.473793D+01 -0.268945D+01 -0.137213D+01 -0.724717D+01 -0.172129D+01
      2  -0.268945D+01  0.546852D+01 -0.284490D+00 -0.172129D+01 -0.175941D+01
      3  -0.137213D+01 -0.284490D+00 -0.231537D+01 -0.211004D+01 -0.237183D+01
               261           262           263           264           265 
      1  -0.211004D+01 -0.115596D+01  0.156435D+01 -0.671565D+00  0.254876D+01
      2  -0.237183D+01  0.156435D+01 -0.173635D+01  0.489498D+00 -0.375556D+01
      3   0.286244D+01 -0.671565D+00  0.489498D+00 -0.468367D+00  0.101129D+01
               266           267           268           269           270 
      1  -0.375556D+01  0.101129D+01 -0.562664D-01 -0.236438D+00 -0.369477D+00
      2   0.952280D+01 -0.207171D+01 -0.236438D+00  0.411906D+00  0.676707D+00
      3  -0.207171D+01  0.172646D+01 -0.369477D+00  0.676707D+00 -0.830456D+00
               271           272           273           274           275 
      1  -0.394108D+00  0.436574D+00 -0.475671D+00  0.141846D+01  0.243148D+00
      2   0.436574D+00  0.509590D+00  0.212417D+00  0.243148D+00  0.236061D+00
      3  -0.475671D+00  0.212417D+00  0.403564D+00  0.371977D+00 -0.655167D+00
               276           277           278           279           280 
      1   0.371977D+00 -0.179687D+01 -0.201993D+00 -0.741103D+00 -0.155442D+02
      2  -0.655167D+00 -0.201993D+00 -0.119373D+01  0.314699D+00 -0.154269D+01
      3   0.125624D+01 -0.741103D+00  0.314699D+00 -0.607746D+01 -0.194584D+00
               281           282           283           284           285 
      1  -0.154269D+01 -0.194584D+00  0.118138D+01 -0.118495D+01  0.163259D+00
      2  -0.125951D+01 -0.158140D+00 -0.118495D+01 -0.542622D+00  0.108894D+00
      3  -0.158140D+00 -0.100734D+01  0.163259D+00  0.108894D+00  0.366989D+00
               286           287           288           289           290 
      1   0.226182D+01  0.465963D+00 -0.107473D+01 -0.108798D+00 -0.759779D+00
      2   0.465963D+00  0.542987D+00  0.123567D+00 -0.759779D+00  0.184925D+01
      3  -0.107473D+01  0.123567D+00  0.598466D-01  0.242949D+00  0.360950D+00
               291           292           293           294           295 
      1   0.242949D+00 -0.161313D+01 -0.632701D+00 -0.144305D+00  0.998266D+00
      2   0.360950D+00 -0.632701D+00 -0.946324D+01 -0.974128D+00  0.307322D+00
      3   0.421582D+00 -0.144305D+00 -0.974128D+00 -0.103658D+01  0.901751D-01
               296           297 
      1   0.307322D+00  0.901751D-01
      2   0.553865D+00 -0.790757D+00
      3  -0.790757D+00 -0.383530D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.202612D+01  0.921122D+00  0.357999D+01  0.974882D+01  0.177340D+01
      2  -0.180501D+01 -0.198458D+01  0.403908D+01 -0.415378D+01 -0.182103D+01
      3   0.192451D+02 -0.158372D+01 -0.171284D+01  0.140716D+02  0.119896D+01
                 6             7             8             9            10 
      1  -0.215378D+01  0.250520D+01  0.340705D+01 -0.568518D-01 -0.317994D+01
      2   0.907449D+00 -0.285278D+01  0.843874D+00 -0.926965D+00 -0.199887D+00
      3  -0.539237D+01 -0.161980D+02 -0.236525D+01 -0.943075D+00 -0.446094D+02
                11            12            13            14            15 
      1  -0.658013D+00  0.147776D+01  0.232044D+01  0.418486D+01 -0.949309D+01
      2   0.997447D+00 -0.284660D+01  0.569120D+01 -0.602559D-01 -0.715774D-01
      3  -0.174029D+01  0.142297D+01  0.108577D+02 -0.225912D+01 -0.606966D+00
                16            17            18            19            20 
      1  -0.399807D+01 -0.207630D+01 -0.375284D+01 -0.258922D+01 -0.438792D+00
      2  -0.258862D+02 -0.181632D+01 -0.347874D+01  0.530265D+00 -0.276502D+01
      3  -0.318388D+00 -0.514639D+00 -0.121059D+01 -0.200265D+02 -0.158604D+00
                21            22            23            24            25 
      1  -0.192039D+01 -0.508097D+01  0.225365D+01  0.932197D+00 -0.108569D+01
      2   0.775877D+01 -0.403967D+01  0.191438D+01 -0.197983D+01 -0.597122D+01
      3   0.331593D+01  0.162747D+02 -0.393762D+00  0.271078D+01 -0.143596D+02
                26            27            28            29            30 
      1   0.323660D+01  0.205943D+01  0.197221D+00  0.204985D+01 -0.276961D+01
      2  -0.970435D+00  0.146852D+01  0.442296D+01  0.909489D+00 -0.380447D+01
      3   0.479124D+01  0.214245D+01  0.410046D+02 -0.183688D+01 -0.307492D+01
                31            32            33            34            35 
      1  -0.733482D+00  0.364325D+01 -0.966260D+01 -0.585632D+01 -0.880935D+00
      2   0.548506D+01 -0.145686D+00  0.248184D+01 -0.291045D+02  0.530560D+01
      3   0.684148D+01  0.561551D+01  0.131262D+01 -0.913435D+01 -0.127787D+01
                36            37            38            39            40 
      1  -0.264490D+01  0.149920D+00  0.119845D+01 -0.182490D+01  0.583682D+01
      2   0.193192D+01 -0.687225D+01 -0.112068D+01  0.433421D+01 -0.436788D+01
      3   0.219311D+01 -0.171941D+02 -0.149233D+00  0.329380D+01  0.629848D+01
                41            42            43            44            45 
      1  -0.224714D+01 -0.324478D+01  0.448059D+01  0.129477D+01 -0.184782D+01
      2  -0.257416D+01  0.106139D+01  0.670565D+00 -0.186113D+00 -0.278374D+01
      3   0.192247D+01 -0.266800D+01  0.239088D+02 -0.226662D+01 -0.489387D+01
                46            47            48            49            50 
      1   0.176923D+01 -0.214066D+01  0.146365D+01 -0.818658D+01 -0.251065D+01
      2   0.549145D+01 -0.283523D+01  0.938620D+01 -0.318241D+01  0.267006D+01
      3   0.244766D+02 -0.277552D+01  0.283611D+01  0.641941D+01 -0.195873D+01
                51            52            53            54            55 
      1  -0.220138D+01 -0.109978D+01  0.204479D+01 -0.212380D+00  0.176549D+01
      2  -0.352550D+01 -0.331013D+01 -0.123800D+01  0.297179D+01 -0.712118D+01
      3   0.278205D+01  0.177512D+02  0.136347D+00  0.258883D+01  0.298142D+02
                56            57            58            59            60 
      1   0.148484D+01 -0.222671D+00  0.389914D+01 -0.309761D+01  0.292868D+01
      2  -0.651165D+00 -0.323424D+01 -0.407425D+01 -0.120061D+02  0.921508D+01
      3   0.133556D+02 -0.212309D+00  0.442276D+02  0.103337D+02  0.813927D+01
                61            62            63            64            65 
      1  -0.396633D+00  0.800946D+01  0.413734D+01 -0.177296D+01  0.552362D-01
      2  -0.212615D+02  0.105359D+02  0.156683D+02  0.116485D+02 -0.238880D+00
      3   0.389054D+01  0.107117D+02 -0.586115D+01 -0.304528D+02 -0.163483D+02
                66            67            68            69            70 
      1  -0.908979D+00 -0.315925D+01 -0.230818D+01 -0.255959D+01  0.281053D+01
      2   0.668098D+01  0.484025D+01  0.154196D+02 -0.128451D+02 -0.980593D+00
      3   0.172993D+01 -0.312948D+02 -0.104263D+02 -0.132056D+02 -0.662690D+01
                71            72            73            74            75 
      1   0.560598D+01  0.195821D+01 -0.183443D+01 -0.637844D+01  0.964407D+00
      2  -0.109059D+02 -0.170410D+02 -0.183074D+02  0.516996D+01  0.241879D+01
      3  -0.144883D+02  0.854326D+01  0.185716D+02  0.948652D+01 -0.253209D+01
                76            77            78            79            80 
      1  -0.941282D+01  0.115527D+01 -0.145392D+02  0.749691D+00 -0.718710D+01
      2   0.651301D+01 -0.105572D+02  0.125291D+02  0.248782D+01  0.106971D+02
      3   0.182738D+02  0.291402D+01  0.167649D+02 -0.280201D+01  0.124464D+02
                81            82            83            84            85 
      1   0.360178D+01  0.574794D+01  0.408985D+01  0.177951D+01  0.604092D+01
      2   0.110670D+02  0.905127D+00 -0.371897D+01 -0.274040D+01 -0.698228D+01
      3  -0.104927D+02  0.256837D+02  0.444500D+01 -0.213187D+01  0.862242D+01
                86            87            88            89            90 
      1   0.930055D+01 -0.540396D+01  0.338281D+01  0.253740D+01 -0.162347D+02
      2  -0.136143D+02  0.118849D+02 -0.598894D+01  0.771501D+01  0.207062D+02
      3   0.303159D+01  0.964567D+01  0.115871D+01  0.113582D+02 -0.804503D+01
                91            92            93            94            95 
      1   0.145869D+01 -0.128118D+01  0.153790D+01  0.888718D+00 -0.194103D+01
      2  -0.122856D+02  0.549296D+00 -0.134280D+01 -0.182043D+00 -0.485471D+01
      3  -0.749789D+01  0.268053D+00 -0.737915D+00  0.385466D+02 -0.194222D+02
                96            97            98            99           100 
      1  -0.212585D+01  0.111987D+01  0.559806D+01 -0.186000D+00  0.187174D+01
      2  -0.975877D+01 -0.175532D+02 -0.943836D+01  0.117623D+02  0.519283D+01
      3  -0.154922D+01  0.237632D+01 -0.118688D+01  0.645659D+01  0.151673D+02
               101           102           103           104           105 
      1   0.155143D+01 -0.385523D+01  0.821606D+00 -0.167051D+01  0.236517D+01
      2  -0.366179D+01  0.766435D+01 -0.140704D+01  0.590291D+01  0.182044D+02
      3  -0.155861D+02  0.176878D+01 -0.611614D+01  0.197596D+01 -0.465843D+01
               106           107           108           109           110 
      1  -0.316042D+01 -0.272901D+01  0.474078D+01 -0.388404D+01 -0.211357D+01
      2  -0.167048D+01  0.135533D+02  0.850687D+01 -0.772216D+01  0.201906D+01
      3   0.145420D+02 -0.157619D+02 -0.105672D+02 -0.911706D+00 -0.412783D+00
               111           112           113           114           115 
      1   0.222937D+01 -0.226814D+01  0.456949D+01 -0.695164D+01  0.357602D+00
      2   0.421248D+01 -0.235605D+01 -0.104464D+02 -0.143718D+02  0.159178D+01
      3  -0.231295D-01 -0.655796D+01  0.198068D+02  0.125615D+02 -0.164821D+02
               116           117           118           119           120 
      1   0.747108D+01 -0.104059D+02  0.291710D+01  0.185080D-01  0.484398D+00
      2  -0.125121D+02 -0.303337D+02  0.379082D+01  0.624123D+00  0.196582D+01
      3   0.199955D+02  0.130964D+02 -0.411747D+01  0.467605D+01 -0.280166D+01
               121           122           123           124           125 
      1   0.209337D+00  0.333275D+01 -0.123677D+01 -0.126488D+01  0.676532D+01
      2   0.273968D+01  0.123034D+01 -0.843295D+00 -0.679596D+00 -0.413466D+01
      3   0.849712D+01 -0.210975D+02 -0.544697D+00  0.333469D+01 -0.478415D+01
               126           127           128           129           130 
      1   0.742219D+01  0.308718D+01  0.120706D+01  0.279043D+01 -0.201811D+01
      2   0.147423D+02 -0.460994D+01  0.855114D-02 -0.312839D+00  0.156902D+01
      3   0.524713D+01 -0.532483D+01 -0.985924D+00 -0.262549D+01  0.409046D+01
               131           132           133           134           135 
      1   0.224057D+00 -0.360576D+01  0.309109D+01  0.113099D+01  0.517385D+01
      2   0.263937D+00 -0.108931D+01 -0.242667D+01 -0.483127D+00  0.213709D+01
      3   0.589540D+00  0.794101D+00 -0.326181D+01 -0.142723D+01 -0.192982D+01
               136           137           138           139           140 
      1   0.206637D+01 -0.877240D+00 -0.252422D+01  0.103075D+01  0.785733D-01
      2   0.427170D+01  0.465282D+00 -0.117027D+01  0.592601D+00 -0.135322D+00
      3   0.281815D+01  0.848471D-01 -0.215945D+01  0.146768D+01 -0.254141D+00
               141           142           143           144           145 
      1  -0.352017D+01 -0.204367D+01  0.191860D+01  0.636756D+01 -0.230850D+01
      2   0.508854D+00 -0.440212D+01 -0.524637D+00 -0.532847D+00 -0.796156D+01
      3  -0.654010D+00 -0.264560D+01  0.767651D+00  0.227254D+01  0.414388D+00
               146           147           148           149           150 
      1   0.300497D+01 -0.954912D+00  0.122097D+01 -0.136129D+01 -0.453943D+00
      2   0.147381D+01 -0.162147D+01  0.202363D+01 -0.516185D+00  0.354812D+00
      3  -0.137147D+01  0.722103D+00  0.450615D+00  0.127240D+01 -0.191517D+00
               151           152           153           154           155 
      1  -0.212680D+01  0.414796D+01 -0.317293D+01 -0.251031D+01 -0.210589D+01
      2  -0.472036D+01  0.622965D+00  0.244149D+00  0.469719D+01  0.122982D+01
      3   0.640132D+00 -0.227546D+01  0.164991D+01 -0.669667D+00 -0.101225D+01
               156           157           158           159           160 
      1   0.130828D+01 -0.398251D+00 -0.120494D+01 -0.682705D-01  0.351385D+01
      2  -0.125992D+01  0.241723D+00 -0.349713D-01  0.372110D+00 -0.504518D+01
      3   0.997388D+00  0.893162D+00 -0.392381D+00  0.304611D+00  0.146586D+01
               161           162           163           164           165 
      1   0.531804D+01 -0.568916D+01 -0.126742D+01 -0.476629D+00  0.142994D+01
      2  -0.617992D+00 -0.205548D+01 -0.610773D+01  0.913413D+00  0.557044D+01
      3   0.223320D+01 -0.195952D+01 -0.147513D+01 -0.408863D+01  0.729890D+00
               166           167           168           169           170 
      1  -0.166704D+00 -0.145573D+00 -0.216810D+01  0.262746D+01  0.874982D+00
      2   0.199654D+01 -0.341302D+01 -0.506115D+01  0.577141D+01 -0.917114D+01
      3  -0.558430D+01  0.226590D+01  0.311228D+01  0.372720D+01  0.577582D+01
               171           172           173           174           175 
      1  -0.698691D+01  0.166255D+01 -0.132594D+01  0.178856D+01 -0.235630D+01
      2  -0.220079D+02  0.685743D+01 -0.256010D+01  0.488170D+01 -0.322165D+01
      3   0.427859D+01  0.210723D+01 -0.708964D+01  0.190624D+00 -0.591480D+01
               176           177           178           179           180 
      1   0.380270D+01 -0.465109D+01  0.176368D+01 -0.213557D+01  0.304108D+01
      2   0.764599D+01 -0.563614D+01  0.458152D+01 -0.687285D+01  0.447409D+01
      3   0.147887D+02 -0.413353D+01 -0.320347D+01 -0.901092D+01  0.390018D+01
               181           182           183           184           185 
      1   0.287553D+00 -0.517059D+00 -0.268579D+00  0.142387D+00  0.466252D+00
      2  -0.355146D+01  0.570150D+00  0.912322D+01 -0.478489D+00 -0.310300D+01
      3   0.564600D+01 -0.868927D+01 -0.842899D+00 -0.135686D+01  0.500455D+01
               186           187           188           189           190 
      1  -0.993276D+00 -0.491120D+00  0.963812D+00 -0.153327D+00 -0.184159D+01
      2   0.127456D+00  0.615594D+01  0.640231D+00 -0.497764D+00  0.202042D+02
      3   0.326902D+01  0.789004D+00  0.401128D+01 -0.926524D+00 -0.102521D+02
               191           192           193           194           195 
      1  -0.265322D+01  0.125522D+01 -0.124151D+01  0.350675D+00  0.398309D-01
      2  -0.335362D+01 -0.764107D+01 -0.276438D+01  0.503322D+01  0.201605D+01
      3   0.337378D+01  0.393657D+01  0.413775D+01 -0.336957D+01 -0.351894D+01
               196           197           198           199           200 
      1   0.118221D+01  0.206173D+01 -0.291611D+00  0.348011D+01  0.513527D+01
      2  -0.816393D+01  0.953563D+00  0.495922D+01  0.233266D+01  0.260738D+00
      3   0.219610D+01 -0.206875D+01 -0.156251D+01 -0.927154D+01 -0.114127D+02
               201           202           203           204           205 
      1  -0.531025D+00  0.580877D+01  0.772038D+01  0.267329D+00  0.986799D+00
      2   0.606176D+01 -0.272872D-02  0.490916D+01  0.692272D+01  0.248539D+01
      3  -0.359443D+01 -0.106485D+02 -0.197530D+02 -0.945721D+01 -0.161985D+01
               206           207           208           209           210 
      1   0.281277D+01  0.688751D+00 -0.255619D+01  0.320243D+01 -0.203535D+01
      2   0.289754D+01  0.315992D+01  0.555199D+01 -0.131068D+01  0.486012D+01
      3  -0.515464D+01 -0.378897D+01  0.245876D+01 -0.593452D+01  0.319583D+01
               211           212           213           214           215 
      1   0.283388D+01 -0.975389D+01  0.564457D+01 -0.227602D+01  0.796992D+01
      2  -0.126402D+01  0.890655D+01 -0.138441D+02  0.143018D+01 -0.806609D+01
      3  -0.331057D+01  0.141945D+02 -0.101144D+02  0.259337D+01 -0.868239D+01
               216           217           218           219           220 
      1  -0.624878D+01  0.163916D+01 -0.621222D+00 -0.164677D+01 -0.280120D+00
      2   0.141510D+02 -0.478929D+01 -0.319061D+00  0.327105D+01 -0.573446D+00
      3   0.886380D+01 -0.236675D+01 -0.253047D+01 -0.103811D+01 -0.403336D+00
               221           222           223           224           225 
      1   0.200022D+01  0.237921D+01 -0.160976D+01  0.488718D+01  0.161946D+02
      2  -0.210079D+01 -0.522152D+01 -0.310109D+00  0.298347D+00 -0.314207D+02
      3   0.157296D+01  0.203873D+01 -0.117795D+01  0.457771D+01 -0.103728D+01
               226           227           228           229           230 
      1  -0.425382D+01 -0.455161D+01 -0.308587D+01 -0.567001D+01 -0.871446D+01
      2   0.349997D+01  0.250777D+01  0.534041D+01  0.353763D+01  0.392786D+01
      3  -0.759002D+01 -0.112652D+02  0.133913D+01 -0.697889D+01 -0.222149D+02
               231           232           233           234           235 
      1  -0.382837D+01 -0.231929D+01 -0.175827D+01 -0.867954D+00 -0.604406D+00
      2   0.358873D+01  0.350038D+01  0.282774D+01  0.235397D+00 -0.826827D+01
      3   0.367445D+00 -0.940594D+00 -0.535296D+01 -0.128051D+01 -0.215020D+02
               236           237           238           239           240 
      1   0.201934D+01  0.252317D+01  0.102241D+01 -0.160439D+01 -0.961861D+00
      2   0.208409D+01 -0.121954D+01  0.199350D+01 -0.102380D+01 -0.373854D+00
      3   0.700798D+01 -0.197912D+00  0.706073D+01 -0.676063D+01 -0.547173D+00
               241           242           243           244           245 
      1   0.172839D+01  0.592162D+00  0.158908D+00  0.135549D-02 -0.374305D+00
      2  -0.309857D+01 -0.223149D+00 -0.190615D+01 -0.499775D+01 -0.448933D+00
      3   0.117405D+01 -0.256717D+01 -0.151216D+01 -0.310648D+01 -0.207012D+01
               246           247           248           249           250 
      1  -0.640539D+00 -0.155852D+00  0.273393D+00 -0.166197D+01 -0.530133D+00
      2   0.378111D+01 -0.694450D-01 -0.282010D+01  0.524830D+01  0.113399D+01
      3   0.534115D-01 -0.824893D+00 -0.189581D+01  0.295023D+01 -0.796904D+00
               251           252           253           254           255 
      1   0.216265D+01  0.253409D+01 -0.165669D+01  0.735655D+00 -0.226369D+01
      2   0.430738D+01 -0.164312D+02  0.191665D+02  0.444693D+01  0.818675D+01
      3   0.436288D+01 -0.309699D+01 -0.168245D+02 -0.117768D+02 -0.479454D+00
               256           257           258           259           260 
      1  -0.139325D+01 -0.588508D+01 -0.568822D+01 -0.100964D+01 -0.864661D+00
      2   0.411815D+01 -0.480965D+00  0.813851D+01  0.561999D+01  0.908343D+01
      3  -0.258597D+01  0.249157D+02  0.152308D+01  0.167081D+01 -0.201171D+01
               261           262           263           264           265 
      1   0.792279D+01  0.574140D-01  0.393783D+00  0.890013D+00  0.465107D+00
      2  -0.158344D+02  0.140620D+01 -0.966934D+00  0.159477D+01 -0.204678D+01
      3  -0.643268D+01  0.311863D+01 -0.381625D+01  0.149383D+01 -0.769895D+01
               266           267           268           269           270 
      1  -0.326513D+01 -0.369249D+01 -0.441307D+00  0.553991D+00 -0.297650D+00
      2   0.569570D+01 -0.600936D+01  0.467925D+00 -0.167688D+01  0.225626D+01
      3   0.299469D+02 -0.642798D+01 -0.553830D+00  0.151583D+01  0.206048D+01
               271           272           273           274           275 
      1  -0.180734D+01 -0.722145D+00  0.405487D+00 -0.722586D-01 -0.249290D+01
      2   0.456760D+01  0.195806D+00 -0.220785D+01  0.125503D+01  0.329911D+01
      3   0.222677D+01  0.914891D+00  0.942837D+00  0.511684D+00  0.899072D+00
               276           277           278           279           280 
      1   0.198531D+01 -0.291716D+00  0.448860D+01 -0.102103D+02  0.795931D+00
      2  -0.537589D+01 -0.227347D+01 -0.235245D+01  0.241949D+02 -0.935763D+01
      3  -0.278609D+01  0.120577D+01 -0.429557D+01  0.281359D+01  0.157510D+02
               281           282           283           284           285 
      1   0.695982D+00 -0.178793D+01  0.963834D+00  0.500321D+00  0.858744D-01
      2  -0.118988D+00  0.758626D+01 -0.656210D+00 -0.110609D+01 -0.134772D+01
      3  -0.619449D+01 -0.759830D+00 -0.491132D+01 -0.414801D+00  0.345960D+00
               286           287           288           289           290 
      1  -0.185667D+01  0.889685D+00 -0.102501D+00  0.108576D+01 -0.527860D+00
      2   0.434294D+01 -0.793108D+00 -0.465852D+00 -0.973327D+00 -0.181401D+01
      3  -0.146320D+01  0.162878D+01  0.211271D+01 -0.440244D+01  0.656577D+01
               291           292           293           294           295 
      1   0.133258D+01 -0.267259D+00  0.601590D+01 -0.365335D+01  0.649337D+00
      2  -0.142544D+01 -0.774448D+00  0.399527D+01  0.379315D+01 -0.153847D+01
      3   0.400958D+00  0.364251D+01 -0.325431D+02 -0.256191D+01 -0.839974D+00
               296           297 
      1  -0.461067D+00 -0.846161D-01
      2   0.260787D+01  0.147479D+01
      3   0.117983D+01 -0.267907D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.759288D+01  0.899197D+01 -0.211249D+02 -0.206941D+01 -0.138351D+02
      2   0.358367D+01 -0.724159D+01  0.683865D+01 -0.689136D+01  0.219118D+02
      3   0.400921D+01 -0.175038D+01  0.142863D+02  0.896076D+01 -0.807671D+01
      4   0.101968D+02 -0.235687D+00  0.667489D+01  0.827660D+01 -0.681820D+01
      5  -0.111296D+02  0.594154D+01 -0.136469D+01  0.103706D+02  0.336522D+01
      6   0.487738D+01  0.426031D+01 -0.434200D+01 -0.716125D+00 -0.643065D+01
                 6             7             8             9            10 
      1   0.666818D+01  0.374545D+02 -0.205983D+01  0.100516D+02  0.584856D+02
      2  -0.127535D+02 -0.112128D+02 -0.139653D+01 -0.519022D+01 -0.282952D+02
      3   0.608535D+01 -0.262416D+02  0.345635D+01 -0.486142D+01 -0.301905D+02
      4   0.223954D+01 -0.307019D+01  0.798319D+00  0.690830D+01 -0.929054D+01
      5   0.673683D+01  0.471276D+01  0.709729D+01 -0.611478D+01 -0.855204D+01
      6   0.424609D+01  0.112009D+02 -0.337023D+01  0.696481D+01  0.198294D+01
                11            12            13            14            15 
      1   0.857142D+01 -0.223592D+01  0.156120D+02 -0.239171D+01  0.451913D+01
      2  -0.731642D+01  0.412072D+01 -0.153979D+02  0.809146D+01 -0.664944D-01
      3  -0.125500D+01 -0.188479D+01 -0.214083D+00 -0.569975D+01 -0.445264D+01
      4   0.156051D+01 -0.358691D+01  0.165199D+02 -0.696904D+01 -0.141296D+01
      5  -0.440232D+01  0.102057D+02  0.114204D+02 -0.262512D+00 -0.318544D+01
      6   0.122768D+01 -0.671210D+01 -0.441107D+01  0.397595D+01  0.830158D+01
                16            17            18            19            20 
      1  -0.946412D+01  0.476517D+01 -0.181137D+02  0.618586D+01 -0.108052D+02
      2  -0.537707D+00  0.425821D+01  0.217751D+01  0.531183D+00  0.104930D+02
      3   0.100018D+02 -0.902338D+01  0.159362D+02 -0.671705D+01  0.312172D+00
      4   0.131836D+02 -0.891524D+00 -0.281046D+01 -0.842852D+01 -0.382253D+00
      5  -0.139547D+02 -0.388251D+01 -0.287578D+01  0.116793D+02  0.154592D+01
      6  -0.621755D+01  0.226916D+01 -0.343048D+01 -0.230668D+01 -0.532498D+01
                21            22            23            24            25 
      1   0.190307D+02  0.494888D+01 -0.111508D+02 -0.513372D+01 -0.199884D+02
      2  -0.114956D+02  0.388915D+01  0.165800D+02 -0.101076D+02  0.141957D+01
      3  -0.753510D+01 -0.883803D+01 -0.542919D+01  0.152413D+02  0.185689D+02
      4   0.231008D+01  0.149395D+02  0.677266D+01 -0.232047D+01 -0.147539D+01
      5  -0.116136D+02  0.758109D-01 -0.152527D+01 -0.124364D+01  0.882410D+01
      6   0.553081D+01 -0.178435D+00 -0.688614D+01  0.558153D+01 -0.114256D+02
                26            27            28            29            30 
      1  -0.314935D+01  0.884438D+01  0.242795D+02 -0.477196D+01  0.279205D+01
      2  -0.312498D+01 -0.416291D+00 -0.607309D+01  0.667218D+01  0.253333D+00
      3   0.627433D+01 -0.842809D+01 -0.182064D+02 -0.190022D+01 -0.304538D+01
      4  -0.250456D+01 -0.671762D+01  0.177739D+02  0.276390D+01 -0.155168D+01
      5  -0.667686D+01  0.803099D+01  0.420116D+01 -0.110722D+01  0.812267D+01
      6   0.111335D+01  0.840573D+01  0.505897D+01 -0.105306D+01  0.556637D+01
                31            32            33            34            35 
      1  -0.521281D+01 -0.436291D+00  0.731624D+01 -0.704559D+01  0.875526D+01
      2   0.915077D+01  0.489032D+01 -0.235868D+01  0.158444D+01  0.162811D+01
      3  -0.393795D+01 -0.445403D+01 -0.495756D+01  0.546115D+01 -0.103834D+02
      4   0.153418D+02  0.497612D+00  0.138118D+01  0.100700D+02  0.529718D+01
      5   0.123471D+02  0.103138D+00  0.916953D+00 -0.161203D+02  0.391171D+01
      6  -0.176184D+01  0.328521D+01  0.601505D+01 -0.324162D+00  0.146077D+01
                36            37            38            39            40 
      1  -0.166472D+02 -0.291194D+01  0.438503D+01 -0.221892D+02 -0.106239D+02
      2   0.281652D+01 -0.161077D+01 -0.214301D+01  0.604714D+01 -0.170143D+01
      3   0.138307D+02  0.452271D+01 -0.224201D+01  0.161421D+02  0.123254D+02
      4   0.257744D+01  0.344321D+01 -0.162370D+01  0.321818D+01  0.484622D+01
      5   0.698297D+00 -0.155210D+02  0.269754D+01 -0.291817D+01  0.119133D+01
      6  -0.639947D+01  0.214440D+01  0.482831D+01  0.584205D+01  0.252498D+01
                41            42            43            44            45 
      1  -0.477000D+01 -0.591990D+01  0.231486D+02 -0.864568D+01  0.624668D+01
      2   0.552916D+01  0.441506D+00  0.133343D+00  0.178536D+01 -0.103683D+01
      3  -0.759166D+00  0.547839D+01 -0.232819D+02  0.686032D+01 -0.520985D+01
      4  -0.730676D+00  0.356310D+01  0.325299D+01  0.450800D+01  0.627849D+01
      5   0.167588D+01  0.832518D+01  0.100149D+02  0.562911D+01 -0.607647D+01
      6   0.303495D+01  0.789188D+01  0.112674D+02  0.172467D+01  0.102974D+02
                46            47            48            49            50 
      1  -0.202572D+00 -0.779578D+01  0.183401D+02  0.136284D+02 -0.182785D+01
      2   0.730195D+01  0.347695D+01 -0.691865D+01 -0.371822D+01  0.236667D+01
      3  -0.709938D+01  0.431884D+01 -0.114215D+02 -0.991017D+01 -0.538819D+00
      4  -0.189157D+01  0.406383D+01 -0.180956D+01  0.944941D+01  0.469691D+01
      5   0.177830D+02 -0.865259D-02 -0.804940D+01 -0.944773D+01 -0.416746D+01
      6   0.110944D+01 -0.366200D+01  0.234708D+00 -0.237402D+01  0.425940D+01
                51            52            53            54            55 
      1  -0.179712D+02 -0.235344D+02 -0.973633D+01  0.508829D+01 -0.355977D+02
      2   0.271386D+01  0.358418D+01  0.266189D+01  0.509505D+01  0.161540D+02
      3   0.152573D+02  0.199502D+02  0.707444D+01 -0.101833D+02  0.194437D+02
      4  -0.453749D+01  0.335162D+01 -0.222869D+01 -0.481310D+01 -0.630992D+01
      5  -0.342990D+01  0.862643D+01 -0.392435D+01  0.656924D+01 -0.423157D+01
      6   0.129954D+02 -0.563892D+01  0.549103D+01  0.128582D+02  0.574134D+00
                56            57            58            59            60 
      1  -0.104270D+02 -0.471783D+01 -0.380571D+02 -0.254257D+02  0.166173D+01
      2   0.733627D+01 -0.137623D+00  0.262345D+02  0.636166D+01  0.592669D+01
      3   0.309075D+01  0.485546D+01  0.118227D+02  0.190640D+02 -0.758842D+01
      4  -0.286419D+02  0.719217D+00 -0.493302D+02  0.125020D+02 -0.153510D+02
      5   0.397810D+00 -0.140141D+02 -0.776564D+00 -0.151381D+02  0.163267D+02
      6   0.488880D-01  0.202405D+01 -0.500905D+00  0.399801D+01 -0.596250D+01
                61            62            63            64            65 
      1  -0.149649D+02  0.841732D+00 -0.331081D+01 -0.923610D+02  0.300183D+02
      2  -0.213756D+01  0.725197D+01  0.663171D+01  0.502422D+02 -0.137342D+02
      3   0.171024D+02 -0.809370D+01 -0.332090D+01  0.421188D+02 -0.162840D+02
      4  -0.893351D+00 -0.197116D+02  0.280347D+02  0.288952D+02  0.242215D+02
      5  -0.258555D+02  0.246664D+02  0.357226D+02  0.236492D+02 -0.236008D+01
      6   0.122933D+02 -0.604825D+01 -0.109514D+02  0.118480D+01 -0.270861D+01
                66            67            68            69            70 
      1   0.231804D+02  0.683026D+02  0.243466D+02 -0.761378D+01  0.355110D+02
      2  -0.131993D+02 -0.315718D+02 -0.109582D+02  0.796835D+01 -0.144216D+02
      3  -0.998108D+01 -0.367308D+02 -0.133883D+02 -0.354572D+00 -0.210894D+02
      4  -0.131844D+01  0.331833D+02  0.113705D+02  0.232788D+02  0.297424D+01
      5   0.760585D+01 -0.161925D+01  0.247725D+02 -0.227865D+02  0.781525D+00
      6   0.172060D+01  0.202570D+01  0.630224D+01 -0.426450D+01 -0.314412D+01
                71            72            73            74            75 
      1  -0.369048D+01  0.305862D+01  0.364430D+02 -0.232666D+02 -0.189055D+02
      2   0.780713D+01 -0.195451D+01 -0.194813D+02  0.505203D+01  0.107534D+02
      3  -0.411665D+01 -0.110411D+01 -0.169617D+02  0.182146D+02  0.815211D+01
      4   0.219829D+02 -0.182097D+02 -0.218666D+02 -0.324406D+02 -0.576431D+01
      5  -0.187426D+02 -0.316410D+02 -0.109111D+02 -0.800255D+01 -0.187659D+02
      6  -0.529843D+01 -0.507527D+01 -0.150024D+02 -0.918724D+01 -0.799966D+00
                76            77            78            79            80 
      1  -0.312238D+02 -0.270686D+02 -0.150452D+01 -0.211841D+02  0.104961D+01
      2   0.684558D+01  0.174149D+02 -0.124721D+02  0.108449D+02 -0.123178D+02
      3   0.243782D+02  0.965367D+01  0.139766D+02  0.103392D+02  0.112681D+02
      4  -0.422221D+02 -0.151029D+02 -0.373442D+02 -0.200642D+01 -0.263673D+02
      5  -0.921384D+01 -0.442594D+02  0.234190D+02 -0.110207D+02  0.209462D+02
      6  -0.152430D+02 -0.686502D+01 -0.998226D+01  0.168230D+01 -0.813941D+01
                81            82            83            84            85 
      1  -0.107542D+02  0.366190D+02 -0.215744D+02 -0.114145D+02 -0.296357D+02
      2   0.160932D+01 -0.356441D+02 -0.175038D+00  0.543611D+01  0.444553D+00
      3   0.914488D+01 -0.974939D+00  0.217495D+02  0.597840D+01  0.291911D+02
      4   0.183116D+02 -0.179026D+02 -0.389346D+02 -0.279453D+00 -0.401056D+02
      5   0.109402D+02 -0.144165D+02  0.593647D+01 -0.580687D+01  0.337166D+01
      6   0.134019D+02  0.141449D+01  0.446430D+01 -0.306635D+01  0.306608D+01
                86            87            88            89            90 
      1  -0.259767D+02  0.834557D+01 -0.131010D+02  0.285791D+01  0.336429D+00
      2  -0.101422D+01 -0.552033D+01  0.659862D+00 -0.678196D+01  0.235680D+02
      3   0.269909D+02 -0.282524D+01  0.124412D+02  0.392405D+01 -0.239044D+02
      4  -0.336694D+02 -0.146294D+02 -0.102494D+02 -0.222425D+02  0.114385D+02
      5  -0.124218D+02  0.226618D+02 -0.392880D+01  0.147891D+02  0.488203D+02
      6  -0.568141D+01  0.108649D+02 -0.123969D+01  0.102834D+02  0.101793D+02
                91            92            93            94            95 
      1   0.140848D+01 -0.317832D+01 -0.703556D+01 -0.503945D+01 -0.181427D+02
      2  -0.453003D+01 -0.950447D+00  0.141585D+01  0.807369D+01  0.803819D+01
      3   0.312156D+01  0.412876D+01  0.561972D+01 -0.303424D+01  0.101045D+02
      4  -0.172387D+02 -0.158116D+02 -0.440354D+01 -0.411887D+02  0.198101D+02
      5  -0.186896D+02 -0.260512D+01 -0.109103D+02 -0.118956D+02 -0.651850D+01
      6  -0.114467D+01 -0.607169D+01 -0.670707D+01 -0.158299D+01  0.286001D+01
                96            97            98            99           100 
      1  -0.782114D+01 -0.184365D+02 -0.869407D+01 -0.453288D+01  0.674509D+01
      2   0.388823D+01  0.328906D+01 -0.452027D+00  0.653279D+01 -0.236034D+01
      3   0.393291D+01  0.151474D+02  0.914609D+01 -0.199991D+01 -0.438475D+01
      4  -0.627609D+01 -0.208732D+02 -0.670489D+01 -0.218784D+02  0.101211D+02
      5  -0.188814D+02 -0.204178D+02 -0.207123D+02  0.224960D+02  0.124024D+02
      6  -0.342753D+01 -0.985585D+01 -0.485216D+01  0.819546D+01 -0.635416D+01
               101           102           103           104           105 
      1   0.291946D+01  0.436548D+01  0.179184D+02  0.520084D+01  0.151258D+01
      2  -0.962841D+00 -0.275163D+01 -0.161884D+02  0.157939D+01  0.361755D+01
      3  -0.195662D+01 -0.161385D+01 -0.172999D+01 -0.678024D+01 -0.513013D+01
      4   0.154582D+01 -0.418704D+01 -0.351266D+00 -0.133403D+02  0.106456D+02
      5  -0.563755D+01 -0.385284D+01 -0.135808D+02  0.130629D+02  0.352637D+02
      6   0.442340D+01  0.719796D+01  0.693886D+01 -0.125932D+02 -0.198799D+02
               106           107           108           109           110 
      1   0.164171D+02 -0.633445D+00  0.428708D+00  0.188016D+02 -0.139782D+02
      2   0.848054D-01 -0.107359D+02  0.295927D+01 -0.111247D+02  0.646761D+01
      3  -0.165019D+02  0.113693D+02 -0.338797D+01 -0.767696D+01  0.751062D+01
      4  -0.153700D+02  0.318340D+02  0.253810D+02 -0.193225D+02  0.172756D+02
      5  -0.215455D+02  0.264499D+02  0.172218D+02 -0.283261D+02  0.921033D+01
      6   0.146106D+02 -0.234058D+02 -0.125634D+02  0.117716D+02 -0.291836D+01
               111           112           113           114           115 
      1  -0.213823D+02 -0.164041D+02 -0.727719D+01 -0.665933D+01 -0.298612D+02
      2   0.137886D+02  0.500921D+01  0.167954D+02  0.420915D+01  0.163293D+02
      3   0.759372D+01  0.113949D+02 -0.951824D+01  0.245018D+01  0.135318D+02
      4   0.121714D+02  0.292362D+02 -0.333773D+02 -0.240778D+02  0.276937D+02
      5   0.209447D+02  0.193520D+02 -0.265270D+02 -0.295377D+02  0.379332D+02
      6  -0.494224D+01 -0.908491D+01  0.253044D+02  0.270776D+02 -0.159728D+02
               116           117           118           119           120 
      1  -0.419940D+01 -0.592290D+01  0.906357D+01 -0.471756D+01  0.119153D+02
      2   0.767386D+01 -0.144898D+02 -0.760236D+01  0.880422D+01 -0.822473D+01
      3  -0.347445D+01  0.204127D+02 -0.146121D+01 -0.408666D+01 -0.369060D+01
      4  -0.353861D+02 -0.266731D+02 -0.146571D+00 -0.703668D+01 -0.294588D+01
      5  -0.299832D+02 -0.656839D+02  0.104610D+02  0.143653D+01  0.770600D+01
      6   0.289743D+02  0.369456D+02 -0.391351D+01 -0.207327D+01 -0.148026D+01
               121           122           123           124           125 
      1  -0.178577D+01 -0.246810D+01  0.349807D+01  0.187299D+02  0.126818D+01
      2   0.115631D+02 -0.201336D+02  0.268563D+00 -0.108523D+02 -0.107490D+01
      3  -0.977729D+01  0.226017D+02 -0.376663D+01 -0.787764D+01 -0.193279D+00
      4  -0.182728D+02  0.499135D+02 -0.133602D+01 -0.849848D+01  0.740148D+01
      5   0.278554D+01 -0.173871D+01 -0.219319D+01  0.169381D+02 -0.107572D+02
      6  -0.481507D+01  0.483303D+01  0.697340D+01 -0.432363D+01  0.134712D+02
               126           127           128           129           130 
      1  -0.185067D+01  0.237514D+01  0.235885D+01 -0.129521D+01 -0.121988D+00
      2  -0.744975D+01 -0.235101D+01 -0.258384D+01 -0.167837D+01  0.799510D+00
      3   0.930042D+01 -0.241252D-01  0.224984D+00  0.297358D+01 -0.677521D+00
      4  -0.101044D+02 -0.101399D+02  0.759305D+01 -0.806218D+01  0.504726D+01
      5   0.299475D+02  0.156139D+02 -0.566971D+01  0.140900D+02 -0.796424D+01
      6  -0.173301D+02 -0.862073D+01  0.585841D+01 -0.866017D+01  0.558880D+01
               131           132           133           134           135 
      1  -0.404155D+01  0.478304D+01 -0.437884D+01  0.815975D+01 -0.147558D+02
      2   0.228806D+01 -0.368019D+00 -0.187431D+01 -0.410799D+01 -0.201359D+01
      3   0.175350D+01 -0.441502D+01  0.625315D+01 -0.405176D+01  0.167694D+02
      4  -0.577095D+01  0.589752D+01 -0.853809D+01  0.752519D+01 -0.107010D+02
      5   0.521410D+01 -0.829366D+01  0.153536D+02 -0.789541D+01  0.208903D+02
      6  -0.653490D+01  0.879041D+01 -0.107667D+02  0.121917D+02 -0.192511D+02
               136           137           138           139           140 
      1  -0.309026D+01 -0.171421D+01  0.562377D+01 -0.255648D+01 -0.468085D+01
      2  -0.260157D+01  0.323532D+00  0.270931D+01 -0.402762D+00  0.118678D+01
      3   0.569183D+01  0.139068D+01 -0.833309D+01  0.295924D+01  0.349407D+01
      4   0.552392D+01  0.354458D+01 -0.550140D+01  0.230940D+01  0.175224D+01
      5  -0.879214D+01 -0.342516D+01  0.114902D+02 -0.308519D+01 -0.248716D+01
      6  -0.600809D+01 -0.348839D+01  0.649659D+01 -0.293858D+01 -0.540284D+01
               141           142           143           144           145 
      1   0.817212D+01  0.756551D+01  0.107608D+02 -0.292846D+02  0.259459D+01
      2   0.111803D+00  0.202660D+01 -0.284203D+01 -0.548615D+01 -0.566013D+01
      3  -0.828393D+01 -0.959211D+01 -0.791877D+01  0.347708D+02  0.306554D+01
      4  -0.281741D+01 -0.569170D+01 -0.510615D+01  0.809120D+01 -0.100386D+01
      5   0.352622D+01  0.102800D+02  0.500337D+01 -0.165468D+02  0.118932D+02
      6   0.890275D+01  0.859511D+01  0.127014D+02 -0.240805D+02 -0.656192D+00
               146           147           148           149           150 
      1   0.430973D+00 -0.128723D+01  0.823270D+00 -0.165676D+01  0.512606D+01
      2   0.832797D+00 -0.472591D+01  0.211775D+01 -0.530880D+00  0.270476D+01
      3  -0.126377D+01  0.601314D+01 -0.294102D+01  0.218764D+01 -0.783082D+01
      4   0.328264D+01 -0.823963D+00  0.224259D+01 -0.302553D+01  0.963627D+00
      5  -0.281648D+01  0.102740D+02 -0.422110D+01  0.313035D+01 -0.643772D+01
      6   0.171596D+01 -0.732512D+00  0.610327D+00 -0.272266D+01  0.217019D+01
               151           152           153           154           155 
      1  -0.376990D+01  0.391401D+01 -0.135237D+02 -0.161485D+00  0.671258D+00
      2  -0.607123D+01  0.147941D+01 -0.964079D+01 -0.562745D+01 -0.151710D+01
      3   0.984113D+01 -0.539342D+01  0.231645D+02  0.578894D+01  0.845841D+00
      4  -0.121088D+01  0.249474D+01 -0.175102D+01  0.126371D+01  0.253668D+01
      5   0.127673D+02 -0.414914D+01  0.162454D+02 -0.983554D+01 -0.226945D+01
      6  -0.162089D+01  0.460833D+01 -0.302946D+01  0.794410D+00 -0.144482D+01
               156           157           158           159           160 
      1   0.262843D+01 -0.221528D+01 -0.292958D+01  0.676376D+01  0.374326D+01
      2   0.579794D+01 -0.590863D+00 -0.691015D+00  0.302527D+01  0.746592D+01
      3  -0.842636D+01  0.280615D+01  0.362060D+01 -0.978902D+01 -0.112092D+02
      4  -0.507305D+00  0.124796D+01  0.954806D+00 -0.143552D+01 -0.196960D+01
      5   0.123198D+02 -0.208548D+01 -0.259035D+01  0.369853D+01  0.129207D+02
      6  -0.154725D+01 -0.959535D+00 -0.235932D+01  0.189316D+01  0.193944D+00
               161           162           163           164           165 
      1   0.316800D+01 -0.229251D+02  0.102780D+02 -0.271964D+01 -0.877327D+01
      2   0.241065D+01 -0.163619D+02 -0.802966D+01  0.836011D+00  0.625614D+01
      3  -0.557865D+01  0.392870D+02 -0.224834D+01  0.188363D+01  0.251713D+01
      4  -0.338207D+01  0.202874D+01 -0.674674D+01  0.105125D+02  0.699697D+01
      5   0.399716D+01 -0.210136D+02 -0.161553D+02  0.514223D+01  0.161247D+02
      6   0.489704D+01  0.279455D+00  0.488300D+01 -0.196062D+01 -0.336510D+01
               166           167           168           169           170 
      1   0.453254D+01  0.130885D+01 -0.241570D+01 -0.167145D+02 -0.408586D+01
      2  -0.341137D+01  0.709379D+00  0.123190D+01  0.140582D+02  0.720049D+00
      3  -0.112117D+01 -0.201823D+01  0.118380D+01  0.265621D+01  0.336581D+01
      4   0.125293D+02 -0.103807D+02 -0.961325D+01  0.136162D+02 -0.152478D+02
      5   0.541672D+01 -0.953976D+01 -0.102353D+02  0.285687D+02 -0.193749D+02
      6  -0.362513D+01  0.665859D+01  0.957694D+01 -0.990304D+01  0.119670D+02
               171           172           173           174           175 
      1  -0.290968D+01  0.208699D+02 -0.101811D+02  0.648810D+01 -0.109980D+02
      2  -0.112134D+02 -0.434585D+01 -0.172770D+00 -0.176124D+01 -0.389877D+01
      3   0.141231D+02 -0.165240D+02  0.103538D+02 -0.472685D+01  0.148967D+02
      4  -0.226320D+02 -0.226989D+02  0.251541D+02 -0.592700D+01  0.332155D+02
      5  -0.488950D+02  0.942990D+01 -0.390766D+01  0.780149D+01 -0.552602D+01
      6   0.191970D+02 -0.310272D+01  0.670695D+00 -0.182475D+01  0.249241D+01
               176           177           178           179           180 
      1   0.412852D+01 -0.650170D+00  0.188089D+02 -0.529398D+00  0.260948D+01
      2   0.169880D+02 -0.429668D+01 -0.502971D+01 -0.676143D+01  0.280953D+00
      3  -0.211165D+02  0.494685D+01 -0.137792D+02  0.729083D+01 -0.289044D+01
      4  -0.455139D+02  0.123833D+02 -0.155050D+02  0.232991D+02 -0.143925D+02
      5   0.113321D+02 -0.896691D+01  0.110004D+02 -0.127216D+02  0.823387D+01
      6  -0.476789D+01  0.555902D+01 -0.478736D+01  0.649647D+01 -0.428881D+01
               181           182           183           184           185 
      1   0.146578D+03 -0.176564D+02 -0.165958D+02 -0.287268D+02  0.138855D+02
      2  -0.744970D+02  0.924030D+01  0.817615D+01  0.142581D+02 -0.530900D+01
      3  -0.720808D+02  0.841611D+01  0.841969D+01  0.144687D+02 -0.857648D+01
      4  -0.132404D+02  0.137840D+02  0.155989D+01  0.171925D+02 -0.886121D+01
      5  -0.190994D+02  0.223462D+01  0.165626D+02  0.236622D+01 -0.603604D+01
      6   0.623662D+00 -0.105760D+01  0.144011D+01 -0.132257D+01 -0.967577D-01
               186           187           188           189           190 
      1   0.293187D+01 -0.201328D+02  0.196453D+01  0.167318D+02 -0.451674D+02
      2  -0.209999D+01  0.113256D+02 -0.190796D+01 -0.101449D+02  0.223694D+02
      3  -0.831881D+00  0.880723D+01 -0.565715D-01 -0.658685D+01  0.227980D+02
      4  -0.559913D+01  0.337925D+00 -0.529280D+01 -0.101672D+00 -0.458408D+01
      5  -0.511691D+00  0.233788D+02 -0.369228D+00 -0.445932D+01 -0.108293D+02
      6   0.236327D+01  0.143486D+00  0.249455D+01  0.770046D+00  0.582559D+01
               191           192           193           194           195 
      1   0.977360D+01  0.132167D+02  0.911493D+01 -0.745022D+01 -0.537138D+01
      2  -0.553684D+01 -0.199433D+01 -0.449880D+01  0.467029D+01  0.366570D+01
      3  -0.423675D+01 -0.112224D+02 -0.461613D+01  0.277993D+01  0.170568D+01
      4  -0.287737D+01 -0.137082D+01  0.236077D+01  0.349236D+01  0.548043D+01
      5  -0.134535D+01 -0.761695D+01  0.809582D+00  0.469904D+01  0.241678D+00
      6  -0.529150D+01 -0.644354D+01 -0.196490D+01  0.425841D+01  0.508215D+01
               196           197           198           199           200 
      1   0.101165D+02 -0.306672D+01 -0.953022D+01  0.323471D+02  0.206351D+02
      2  -0.240577D+01  0.152591D+01  0.875529D+00 -0.138517D+02 -0.535435D+01
      3  -0.771075D+01  0.154081D+01  0.865469D+01 -0.184954D+02 -0.152807D+02
      4   0.691845D+00  0.358021D+01 -0.126056D+01  0.333464D+02  0.313411D+02
      5   0.166217D+01 -0.105911D+01  0.329423D+01  0.264350D+02  0.167289D+02
      6  -0.328217D+01  0.419548D+01  0.222141D+01  0.123826D+02  0.112683D+02
               201           202           203           204           205 
      1   0.129559D+02  0.244245D+02  0.151655D+02  0.581590D+01  0.689783D+01
      2  -0.906764D+01 -0.592965D+01  0.299103D+01 -0.268683D+01 -0.592844D+01
      3  -0.388828D+01 -0.184948D+02 -0.181566D+02 -0.312906D+01 -0.969393D+00
      4   0.134153D+02  0.400041D+02  0.487291D+02  0.235056D+02  0.970272D+01
      5   0.213003D+02  0.240138D+02  0.275021D+02  0.208788D+02  0.177398D+02
      6   0.772667D+01  0.153065D+02  0.208461D+02  0.146770D+02  0.716248D+01
               206           207           208           209           210 
      1   0.195175D+01  0.647318D+01  0.105071D+02 -0.639570D+01  0.123681D+02
      2  -0.177774D+01 -0.537382D+01 -0.914762D+01  0.577182D+01 -0.110018D+02
      3  -0.174017D+00 -0.109935D+01 -0.135948D+01  0.623875D+00 -0.136627D+01
      4   0.121224D+02  0.116148D+02 -0.696082D+01  0.123960D+02 -0.564476D+01
      5   0.121226D+02  0.140936D+02  0.172650D+02 -0.803763D+01  0.186614D+02
      6   0.102543D+02  0.737460D+01 -0.150839D+01  0.418351D+01 -0.160760D+01
               211           212           213           214           215 
      1  -0.113393D+02  0.638396D+01 -0.370072D+01  0.102999D+02 -0.139510D+01
      2   0.105280D+02 -0.900083D+01  0.143218D+02 -0.114367D+02  0.998556D+01
      3   0.811322D+00  0.261687D+01 -0.106211D+02  0.113686D+01 -0.859046D+01
      4   0.131239D+02 -0.264240D+02  0.215084D+02 -0.563722D+01  0.162298D+02
      5  -0.155246D+02  0.244743D+02 -0.326403D+02  0.194460D+02 -0.194794D+02
      6   0.512050D+01 -0.120050D+02  0.917502D+01 -0.227999D+01  0.926628D+01
               216           217           218           219           220 
      1   0.242578D+01  0.120019D+01  0.203762D+01 -0.863215D+01 -0.150776D+01
      2  -0.190446D+02 -0.283315D+01  0.552002D+00  0.698038D+01  0.292230D+01
      3   0.166188D+02  0.163296D+01 -0.258962D+01  0.165177D+01 -0.141453D+01
      4  -0.175999D+02  0.287051D+01  0.648152D+01 -0.265583D+01  0.424834D+01
      5   0.364780D+02 -0.107242D+02 -0.102632D+01  0.142235D+02  0.154481D+01
      6  -0.751663D+01 -0.258369D+01 -0.136506D+01  0.192933D+01 -0.814548D+00
               221           222           223           224           225 
      1   0.675783D+00  0.807711D-03 -0.861666D+01  0.171300D+01 -0.116732D+02
      2  -0.186680D+01 -0.518202D+01  0.892192D+01 -0.398741D+01 -0.253249D+02
      3   0.119102D+01  0.518121D+01 -0.305255D+00  0.227442D+01  0.369982D+02
      4  -0.408323D+00 -0.468829D+01 -0.505117D+01 -0.873603D+01  0.324821D+01
      5  -0.557788D+01 -0.112170D+02  0.173456D+02  0.240454D+01 -0.683367D+02
      6   0.989621D-01  0.297498D+01  0.448269D+01  0.715898D+01 -0.233532D+02
               226           227           228           229           230 
      1   0.258174D+02  0.196871D+02  0.156468D+01  0.179970D+02  0.102723D+02
      2  -0.675437D-02  0.514608D+01  0.245542D+00  0.829589D+01  0.269665D+02
      3  -0.258106D+02 -0.248332D+02 -0.181022D+01 -0.262929D+02 -0.372388D+02
      4   0.395836D+02  0.433561D+02 -0.177266D+01  0.462169D+02  0.675854D+02
      5  -0.410109D+01 -0.564608D+01  0.939018D+01 -0.554913D+01 -0.491372D+01
      6  -0.346781D+01 -0.498901D+01  0.531493D+01 -0.498657D+01 -0.850566D+01
               231           232           233           234           235 
      1  -0.261313D+00  0.642121D+01  0.166886D+01  0.349442D+01 -0.420992D+02
      2   0.903210D+00  0.522370D+00  0.516397D+01 -0.131490D+01  0.279898D+02
      3  -0.641897D+00 -0.694359D+01 -0.683283D+01 -0.217952D+01  0.141094D+02
      4  -0.156528D+01  0.783479D+01  0.130482D+02  0.723776D+01 -0.128253D+02
      5   0.677326D+01  0.738512D+01  0.574062D+01 -0.152678D+01  0.116028D+02
      6   0.612170D+01  0.423219D+01  0.460877D+01  0.257153D+00  0.141920D+00
               236           237           238           239           240 
      1   0.141464D+02  0.944293D+00  0.105990D+02 -0.103998D+02  0.393804D+00
      2  -0.139477D+02 -0.148167D+01 -0.834644D+01  0.124602D+02  0.141960D+00
      3  -0.198786D+00  0.537380D+00 -0.225252D+01 -0.206035D+01 -0.535764D+00
      4  -0.404715D+01  0.334872D+01  0.321165D+01  0.516145D+01  0.401937D+00
      5   0.605874D+00 -0.594301D+01 -0.164300D+01  0.211388D+01 -0.470382D+00
      6   0.362253D+01 -0.472100D+01  0.124673D+01 -0.164675D+01  0.975897D+00
               241           242           243           244           245 
      1   0.525387D+01 -0.242280D+01 -0.575713D+01  0.229923D+01  0.389921D+01
      2  -0.317581D+01  0.350207D+01  0.347975D+00 -0.385283D+01 -0.212860D+01
      3  -0.207806D+01 -0.107927D+01  0.540915D+01  0.155359D+01 -0.177061D+01
      4   0.165610D+01  0.378317D+01 -0.151069D+01  0.644231D+01  0.672342D+01
      5  -0.151667D+01 -0.205958D+00 -0.306378D+01 -0.107912D+02 -0.270688D+01
      6  -0.255626D+01  0.134267D+01 -0.606902D+00 -0.437804D+01 -0.572955D+00
               246           247           248           249           250 
      1  -0.591019D+01  0.430127D+01 -0.141888D+00  0.200226D+01 -0.769979D+01
      2   0.444650D+01 -0.191884D+01  0.109666D+01 -0.149903D+01  0.753592D+01
      3   0.146369D+01 -0.238242D+01 -0.954772D+00 -0.503228D+00  0.163875D+00
      4  -0.360869D+01  0.101067D+02  0.629712D+01 -0.725966D+01 -0.615435D+01
      5   0.120007D+02 -0.371658D+01 -0.739294D+01  0.106195D+02  0.160483D+02
      6   0.261824D+01 -0.215091D+01 -0.601421D+01  0.791146D+01  0.422536D+01
               251           252           253           254           255 
      1   0.207173D+01 -0.450601D+01 -0.853205D+02 -0.478303D+01  0.767864D+01
      2   0.957296D+00 -0.947394D+01  0.434417D+02  0.100308D+02 -0.553589D+01
      3  -0.302902D+01  0.139799D+02  0.418788D+02 -0.524776D+01 -0.214275D+01
      4  -0.105198D+02  0.106776D+02 -0.920659D+01  0.246454D+02  0.103811D+02
      5   0.939710D+01 -0.352510D+02  0.117289D+02  0.766838D+01  0.137648D+02
      6   0.744792D+01 -0.128366D+02  0.874248D+01  0.586787D+01  0.491893D+01
               256           257           258           259           260 
      1   0.181284D+02  0.341164D+02  0.319761D+01  0.303097D+02  0.399489D+01
      2  -0.617434D+01 -0.387395D+02 -0.727795D+01 -0.131163D+02 -0.347558D+01
      3  -0.119541D+02  0.462308D+01  0.408034D+01 -0.171935D+02 -0.519303D+00
      4   0.274740D+02 -0.296487D+02  0.453023D+01  0.223931D+02  0.146561D+02
      5   0.129654D+02  0.713927D+01  0.174889D+02  0.207463D+02  0.189334D+02
      6   0.638654D+01 -0.428540D+01  0.574468D+01  0.884041D+01  0.785687D+01
               261           262           263           264           265 
      1   0.152864D+02  0.702227D+01 -0.892873D+01  0.282855D+01 -0.672589D+01
      2   0.569508D+01  0.209042D+01 -0.102234D+01 -0.124932D+00 -0.962975D+01
      3  -0.209815D+02 -0.911269D+01  0.995107D+01 -0.270362D+01  0.163556D+02
      4   0.221029D+02 -0.153043D+02  0.187399D+02 -0.451050D+01  0.311175D+02
      5  -0.192318D+02  0.559945D+01 -0.468231D+01  0.382345D+01 -0.891600D+01
      6  -0.324858D+01 -0.361379D+01  0.332281D+01 -0.162509D+01  0.685945D+01
               266           267           268           269           270 
      1  -0.558599D+01  0.568733D+00  0.319638D+00  0.108990D+01 -0.740567D+00
      2   0.364472D+02 -0.642951D+01 -0.213805D+01  0.369594D+01  0.157621D+01
      3  -0.308612D+02  0.586077D+01  0.181841D+01 -0.478585D+01 -0.835645D+00
      4  -0.654004D+02  0.143740D+02  0.187321D+01 -0.367065D+01 -0.457056D+01
      5   0.155604D+02 -0.117371D+02  0.340999D+01 -0.468808D+01  0.541325D+01
      6  -0.157073D+02  0.864809D+01 -0.200513D+01  0.504652D+01 -0.358299D+01
               271           272           273           274           275 
      1   0.598936D+01 -0.443865D+00  0.563463D+01 -0.741296D+01 -0.585831D+01
      2  -0.591265D+01 -0.855182D+00 -0.216358D+01  0.384188D+01  0.289604D+01
      3  -0.767054D-01  0.129905D+01 -0.347106D+01  0.357107D+01  0.296226D+01
      4  -0.146217D+01 -0.340645D+01 -0.287517D+00 -0.283510D+01 -0.255977D+01
      5   0.325635D+01 -0.168926D+01  0.152540D+00 -0.450253D+01  0.375381D+01
      6  -0.382454D+00 -0.157520D+01 -0.121206D+01 -0.710779D+00 -0.211055D+00
               276           277           278           279           280 
      1  -0.561083D+00  0.998917D+01 -0.229174D-01 -0.116060D+02  0.131890D+03
      2   0.502725D+01 -0.688317D+01  0.426496D+01 -0.155841D+02 -0.628809D+02
      3  -0.446617D+01 -0.310600D+01 -0.424205D+01  0.271901D+02 -0.690093D+02
      4   0.407393D+01  0.449408D+01  0.868397D+01 -0.326562D+01  0.408868D+02
      5  -0.952519D+01  0.101607D+02 -0.234719D+01  0.430761D+02  0.100719D+02
      6   0.123955D+01  0.166258D+01  0.367161D+01  0.123776D+02 -0.338348D+00
               281           282           283           284           285 
      1   0.934242D+01 -0.127308D+01 -0.787451D+01  0.745605D+01 -0.302672D+00
      2  -0.120059D+01 -0.195895D+00  0.666959D+01 -0.471944D+00  0.676124D+00
      3  -0.814183D+01  0.146897D+01  0.120492D+01 -0.698411D+01 -0.373452D+00
      4   0.170173D+02  0.982574D+00  0.127387D+02  0.587139D+01 -0.117149D+01
      5   0.153359D+01  0.125890D+02 -0.164010D+01 -0.769267D+00 -0.247951D+01
      6   0.169612D+01  0.338595D+01  0.433345D+00  0.431164D+00  0.106906D+00
               286           287           288           289           290 
      1  -0.172768D+02 -0.177519D+01  0.913062D+01  0.204239D+01  0.130509D+02
      2   0.698071D+01 -0.463202D-01 -0.675136D+01  0.194698D+01 -0.129837D+02
      3   0.102961D+02  0.182151D+01 -0.237926D+01 -0.398937D+01 -0.671964D-01
      4  -0.749797D+01 -0.477122D+01  0.112400D+01  0.440990D+01 -0.579542D+01
      5   0.124324D+02 -0.710891D+00 -0.471871D+00 -0.175963D+01 -0.626964D+00
      6   0.308827D+01  0.497882D+00 -0.562858D+00 -0.130148D+00 -0.271470D+01
               291           292           293           294           295 
      1   0.159638D+00  0.104089D+02 -0.309621D+02 -0.279547D+01 -0.428847D+01
      2  -0.278334D+00 -0.279080D+01  0.535317D+02  0.308432D+01  0.983334D+00
      3   0.118696D+00 -0.761806D+01 -0.225696D+02 -0.288849D+00  0.330514D+01
      4  -0.215182D+01  0.121287D+02  0.607806D+02  0.641546D+01 -0.343360D+01
      5  -0.251436D+01  0.287659D+01  0.396672D+01  0.689572D+01 -0.113840D+00
      6  -0.215822D+01  0.748715D+00  0.116768D+02  0.743937D+01 -0.150641D+00
               296           297 
      1  -0.129317D+01 -0.571753D+01
      2  -0.138652D+01  0.424433D+01
      3   0.267969D+01  0.147320D+01
      4  -0.448113D+01  0.393719D+01
      5   0.477799D+01  0.222401D+01
      6   0.692879D+01  0.148895D+01
 Leave Link  716 at Wed Sep  8 13:36:01 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.214003D+03 -0.181353D+01 -0.792954D+00
      2  -0.181353D+01  0.137306D+03 -0.689302D+01
      3  -0.792954D+00 -0.689302D+01  0.155783D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.404184D+01 -0.733981D+01  0.214935D+02
      2   0.101466D+02 -0.844421D+01  0.448394D+02
      3  -0.127275D+03 -0.331177D+02  0.124012D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.161577D+03  0.556600D+02 -0.323636D+01
      2  -0.892907D+02 -0.285610D+02  0.159950D+02
      3  -0.722863D+02 -0.270990D+02 -0.127586D+02
      4  -0.219784D+02  0.644700D+02 -0.258041D+02
      5  -0.638023D+01 -0.283784D+02  0.963281D+02
      6  -0.119981D+02  0.126862D+02 -0.255627D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.116437D+02  0.714900D+00  0.130164D+01 -0.231336D+01  0.170691D+01
      2   0.714900D+00  0.156873D+01 -0.789839D+00  0.170691D+01 -0.346965D+01
      3   0.130164D+01 -0.789839D+00  0.277422D+01  0.193899D+01  0.226413D+01
                 6             7             8             9            10 
      1   0.193899D+01  0.146701D+02  0.152874D+01 -0.106920D+01  0.342294D+02
      2   0.226413D+01  0.152874D+01 -0.794163D-01  0.148433D+01  0.161380D+01
      3   0.855897D+00 -0.106920D+01  0.148433D+01  0.875051D+00 -0.157588D+01
                11            12            13            14            15 
      1   0.161380D+01 -0.157588D+01 -0.589499D+00  0.443319D+01  0.112067D+01
      2   0.184782D+01 -0.715670D+00  0.443319D+01 -0.133262D+01 -0.137471D+00
      3  -0.715670D+00  0.287386D+01  0.112067D+01 -0.137471D+00 -0.663279D+00
                16            17            18            19            20 
      1  -0.355598D+01  0.874713D+00  0.140176D+01  0.155066D+02 -0.905483D+00
      2   0.874713D+00  0.315995D+00 -0.118138D+01 -0.905483D+00 -0.209911D+01
      3   0.140176D+01 -0.118138D+01 -0.659328D+00 -0.154482D+01  0.148089D+01
                21            22            23            24            25 
      1  -0.154482D+01 -0.427488D+01 -0.174076D+01 -0.259803D+00  0.128665D+02
      2   0.148089D+01 -0.174076D+01 -0.256351D+01  0.246052D+01 -0.222228D+01
      3  -0.157563D+01 -0.259803D+00  0.246052D+01  0.204399D+01  0.135471D+00
                26            27            28            29            30 
      1  -0.222228D+01  0.135471D+00 -0.327750D+02  0.122793D+01  0.112456D+01
      2   0.138293D+01  0.137226D+01  0.122793D+01 -0.174419D+01  0.166819D+00
      3   0.137226D+01  0.156212D+01  0.112456D+01  0.166819D+00 -0.278277D+01
                31            32            33            34            35 
      1   0.348359D+01 -0.523321D+01 -0.169053D+01  0.334618D+01 -0.148558D+01
      2  -0.523321D+01  0.843240D+00  0.456363D+00 -0.148558D+01 -0.915659D-01
      3  -0.169053D+01  0.456363D+00 -0.312127D-01 -0.723295D+00 -0.866128D+00
                36            37            38            39            40 
      1  -0.723295D+00  0.113896D+02 -0.990906D+00 -0.817442D+00  0.472127D+01
      2  -0.866128D+00 -0.990906D+00 -0.779993D+00 -0.354933D+00 -0.197585D+01
      3   0.431501D+00 -0.817442D+00 -0.354933D+00 -0.290550D+01 -0.115253D+01
                41            42            43            44            45 
      1  -0.197585D+01 -0.115253D+01 -0.149718D+02  0.463495D+00  0.770771D+00
      2   0.236747D+01 -0.224446D+01  0.463495D+00 -0.105639D+01 -0.940233D+00
      3  -0.224446D+01 -0.117726D+01  0.770771D+00 -0.940233D+00 -0.128404D+01
                46            47            48            49            50 
      1  -0.138763D+02  0.912930D+00  0.871626D+00  0.610167D+01  0.226038D+01
      2   0.912930D+00  0.797613D+00 -0.672051D-01  0.226038D+01  0.179375D+01
      3   0.871626D+00 -0.672051D-01  0.156083D+01 -0.413234D+00 -0.288740D+01
                51            52            53            54            55 
      1  -0.413234D+00 -0.112955D+02  0.571299D+00 -0.370061D+00 -0.173213D+02
      2  -0.288740D+01  0.571299D+00 -0.144244D+01 -0.899642D+00 -0.298532D+01
      3  -0.227524D+01 -0.370061D+00 -0.899642D+00 -0.149518D+01 -0.268978D+00
                56            57            58            59            60 
      1  -0.298532D+01 -0.268978D+00 -0.802583D+01 -0.745253D+01 -0.338558D+00
      2  -0.390767D+01  0.110365D-01 -0.745253D+01  0.289477D+00 -0.197997D+01
      3   0.110365D-01 -0.167960D+01 -0.338558D+00 -0.197997D+01  0.202635D+01
                61            62            63            64            65 
      1  -0.166658D+01 -0.606368D+00 -0.335513D+01 -0.405050D+01  0.447168D+01
      2  -0.606368D+00 -0.259143D+01  0.310820D+01  0.447168D+01  0.301618D+01
      3  -0.335513D+01  0.310820D+01  0.462009D+01  0.229621D+01 -0.260241D+00
                66            67            68            69            70 
      1   0.229621D+01  0.148380D+02  0.549479D+01 -0.689293D-01  0.570634D+01
      2  -0.260241D+00  0.549479D+01  0.199867D+01  0.320204D+01  0.760758D+00
      3   0.767743D+00 -0.689293D-01  0.320204D+01 -0.278429D+01  0.246719D+00
                71            72            73            74            75 
      1   0.760758D+00  0.246719D+00  0.279667D+01 -0.341890D+01 -0.241611D+01
      2   0.330721D+01 -0.253411D+01 -0.341890D+01 -0.341657D+01 -0.980548D-01
      3  -0.253411D+01 -0.411579D+01 -0.241611D+01 -0.980548D-01 -0.153813D+01
                76            77            78            79            80 
      1  -0.538801D+01 -0.458857D+01 -0.130218D+00 -0.282675D+01  0.177839D+00
      2  -0.458857D+01 -0.144248D+01 -0.436394D+01  0.177839D+00 -0.315796D+01
      3  -0.130218D+00 -0.436394D+01  0.292335D+01 -0.464336D+00  0.257059D+01
                81            82            83            84            85 
      1  -0.464336D+00  0.317391D+01 -0.386737D+01 -0.130950D+01 -0.571690D+01
      2   0.257059D+01 -0.386737D+01 -0.376101D+01  0.313270D+00 -0.391792D+01
      3   0.218187D+01 -0.130950D+01  0.313270D+00 -0.100600D+01 -0.173821D+00
                86            87            88            89            90 
      1  -0.391792D+01 -0.173821D+00 -0.204717D+01 -0.901596D+00 -0.723592D+00
      2  -0.289171D+01 -0.233119D+01 -0.901596D+00 -0.315486D+01  0.202244D+01
      3  -0.233119D+01  0.304199D+01 -0.723592D+00  0.202244D+01  0.607746D+01
                91            92            93            94            95 
      1   0.766868D+01  0.184938D+01  0.190928D+01 -0.449079D+01  0.658099D+01
      2   0.184938D+01  0.177944D+01  0.333942D+00  0.658099D+01 -0.414917D+01
      3   0.190928D+01  0.333942D+00  0.160164D+01  0.165664D+01  0.538811D+00
                96            97            98            99           100 
      1   0.165664D+01  0.314693D+01  0.223450D+01  0.255054D+01  0.135593D+01
      2   0.538811D+00  0.223450D+01  0.556354D+00  0.267784D+01 -0.155081D+01
      3   0.216075D+01  0.255054D+01  0.267784D+01 -0.336982D+01 -0.165659D+01
               101           102           103           104           105 
      1  -0.155081D+01 -0.165659D+01 -0.133054D+01 -0.711037D+00  0.142023D+01
      2   0.161354D+00  0.854347D+00 -0.711037D+00  0.300505D+01 -0.190334D+01
      3   0.854347D+00  0.566022D+00  0.142023D+01 -0.190334D+01 -0.336802D+01
               106           107           108           109           110 
      1  -0.498237D+01  0.240256D+01  0.134880D+01 -0.264260D+01  0.187811D+01
      2   0.240256D+01 -0.464938D+01 -0.354792D+01  0.187811D+01 -0.921069D+00
      3   0.134880D+01 -0.354792D+01 -0.210119D+01  0.323857D+01 -0.759974D+00
               111           112           113           114           115 
      1   0.323857D+01  0.420822D+01 -0.319458D+01 -0.188265D+01  0.825881D+01
      2  -0.759974D+00 -0.319458D+01  0.494511D+01  0.395537D+01 -0.371031D+01
      3  -0.135666D+01 -0.188265D+01  0.395537D+01  0.362203D+01 -0.347698D+01
               116           117           118           119           120 
      1  -0.371031D+01 -0.347698D+01 -0.165244D+00 -0.223626D+00 -0.135242D+01
      2   0.546827D+01  0.430512D+01 -0.223626D+00  0.178874D+01 -0.232268D+00
      3   0.430512D+01  0.892015D+01 -0.135242D+01 -0.232268D+00 -0.168014D+00
               121           122           123           124           125 
      1  -0.667530D+00  0.298236D+01 -0.609404D+00 -0.463161D+01  0.971522D+00
      2   0.298236D+01 -0.730290D+01  0.105038D+00  0.971522D+00 -0.112943D+01
      3  -0.609404D+00  0.105038D+00 -0.885004D-01 -0.101524D+01  0.143182D+01
               126           127           128           129           130 
      1  -0.101524D+01  0.336893D+01 -0.102407D+01  0.247936D+01 -0.200629D+01
      2   0.143182D+01 -0.102407D+01  0.909684D+00 -0.103816D+01  0.730711D+00
      3  -0.402729D+01  0.247936D+01 -0.103816D+01  0.218442D+01 -0.129904D+01
               131           132           133           134           135 
      1   0.730711D+00 -0.129904D+01  0.251884D+01 -0.121330D+01  0.290579D+01
      2  -0.900055D+00  0.910884D+00 -0.121330D+01  0.167640D+01 -0.211797D+01
      3   0.910884D+00 -0.200876D+01  0.290579D+01 -0.211797D+01  0.500459D+01
               136           137           138           139           140 
      1  -0.201025D+01 -0.665456D+00  0.203175D+01 -0.363752D+00 -0.216379D+00
      2  -0.665456D+00 -0.344729D+00  0.645455D+00 -0.216379D+00 -0.586874D+00
      3   0.203175D+01  0.645455D+00 -0.222059D+01  0.659912D+00  0.821829D+00
               141           142           143           144           145 
      1   0.659912D+00  0.201529D+01  0.965156D+00 -0.264083D+01 -0.355840D+01
      2   0.821829D+00  0.965156D+00  0.159188D+01 -0.236180D+01  0.918784D+00
      3  -0.218485D+01 -0.264083D+01 -0.236180D+01  0.732916D+01 -0.203196D+01
               146           147           148           149           150 
      1   0.918784D+00 -0.203196D+01  0.152948D+01 -0.585541D+00  0.113977D+01
      2  -0.658746D+00  0.590896D+00 -0.585541D+00  0.612183D+00 -0.580552D+00
      3   0.590896D+00 -0.183914D+01  0.113977D+01 -0.580552D+00  0.183884D+01
               151           152           153           154           155 
      1  -0.245543D+01  0.871792D+00 -0.266070D+01  0.198744D+01  0.626530D+00
      2   0.871792D+00 -0.109677D+01  0.141380D+01  0.626530D+00  0.262812D+00
      3  -0.266070D+01  0.141380D+01 -0.482514D+01 -0.196434D+01 -0.316008D+00
               156           157           158           159           160 
      1  -0.196434D+01  0.979483D-01  0.159485D+00 -0.559125D+00 -0.236423D+01
      2  -0.316008D+00  0.159485D+00  0.284535D+00 -0.536106D+00 -0.845904D+00
      3   0.203775D+01 -0.559125D+00 -0.536106D+00  0.189861D+01  0.278855D+01
               161           162           163           164           165 
      1  -0.845904D+00  0.278855D+01  0.193533D+01 -0.447843D+00 -0.174070D+01
      2  -0.108624D+01  0.140881D+01 -0.447843D+00  0.968261D+00  0.497118D+00
      3   0.140881D+01 -0.724225D+01 -0.174070D+01  0.497118D+00  0.140950D+01
               166           167           168           169           170 
      1   0.126122D+01  0.160410D+01  0.547398D+00 -0.503725D+01  0.818300D+00
      2   0.160410D+01 -0.123749D+01 -0.131379D+01  0.818300D+00 -0.193604D+01
      3   0.547398D+00 -0.131379D+01 -0.142748D+01  0.310720D+01 -0.262001D+01
               171           172           173           174           175 
      1   0.310720D+01  0.364550D+01 -0.186098D+01  0.112196D+01 -0.260431D+01
      2  -0.262001D+01 -0.186098D+01  0.235336D+01 -0.424685D+00  0.330574D+01
      3  -0.653841D+01  0.112196D+01 -0.424685D+00  0.724352D+00 -0.632415D+00
               176           177           178           179           180 
      1   0.330574D+01 -0.632415D+00  0.492945D+01 -0.100259D+01  0.128289D+01
      2  -0.544866D+01  0.151789D+01 -0.100259D+01  0.282383D+01 -0.167102D+01
      3   0.151789D+01 -0.116224D+01  0.128289D+01 -0.167102D+01  0.104934D+01
               181           182           183           184           185 
      1   0.137974D+02 -0.149973D+01 -0.158726D+01 -0.365283D+01  0.111717D+01
      2  -0.149973D+01  0.121147D+01  0.203138D+00  0.111717D+01 -0.107316D+01
      3  -0.158726D+01  0.203138D+00  0.142509D+01  0.135755D+00 -0.667268D+00
               186           187           188           189           190 
      1   0.135755D+00 -0.236059D+01 -0.248846D-01  0.196868D+01 -0.656328D+01
      2  -0.667268D+00 -0.248846D-01 -0.745864D+00  0.117405D+00  0.419521D+00
      3  -0.598967D-01  0.196868D+01  0.117405D+00 -0.266168D+00  0.666030D+00
               191           192           193           194           195 
      1   0.419521D+00  0.666030D+00  0.757681D+00 -0.562654D+00 -0.534990D+00
      2  -0.127420D+01 -0.796979D+00 -0.562654D+00  0.953057D+00  0.868160D+00
      3  -0.796979D+00 -0.194522D+01 -0.534990D+00  0.868160D+00  0.402849D+00
               196           197           198           199           200 
      1   0.912054D+00 -0.302411D+00 -0.793076D+00  0.418438D+01  0.313776D+01
      2  -0.302411D+00  0.641850D+00  0.146095D+00  0.313776D+01  0.294851D+01
      3  -0.793076D+00  0.146095D+00  0.107067D+01  0.216892D+01  0.127908D+01
               201           202           203           204           205 
      1   0.216892D+01  0.389175D+01  0.393387D+01  0.191867D+01  0.113712D+01
      2   0.127908D+01  0.393387D+01  0.529901D+01  0.266238D+01  0.885166D+00
      3   0.184935D+01  0.191867D+01  0.266238D+01  0.207979D+01  0.152312D+01
               206           207           208           209           210 
      1   0.885166D+00  0.152312D+01  0.130482D+01 -0.674503D+00  0.161162D+01
      2   0.133643D+01  0.119557D+01 -0.674503D+00  0.127624D+01 -0.656135D+00
      3   0.119557D+01  0.128275D+01  0.161162D+01 -0.656135D+00  0.159045D+01
               211           212           213           214           215 
      1  -0.141610D+01  0.129093D+01 -0.127387D+01  0.159193D+01 -0.677829D+00
      2   0.129093D+01 -0.326955D+01  0.259990D+01 -0.677829D+00  0.207607D+01
      3  -0.127387D+01  0.259990D+01 -0.364851D+01  0.159857D+01 -0.217652D+01
               216           217           218           219           220 
      1   0.159857D+01  0.366882D+00  0.381328D+00 -0.115734D+01 -0.426551D-01
      2  -0.217652D+01  0.381328D+00  0.592995D+00 -0.882188D-01  0.366690D+00
      3   0.410079D+01 -0.115734D+01 -0.882188D-01  0.109445D+01  0.840811D-01
               221           222           223           224           225 
      1   0.366690D+00  0.840811D-01 -0.151263D+01 -0.299434D+00  0.138989D+01
      2  -0.142742D+00 -0.684628D+00 -0.299434D+00 -0.127029D+01  0.286091D+00
      3  -0.684628D+00 -0.132464D+01  0.138989D+01  0.286091D+00 -0.892867D+01
               226           227           228           229           230 
      1   0.371854D+01  0.369659D+01 -0.810401D-01  0.347775D+01  0.442818D+01
      2   0.369659D+01  0.410575D+01 -0.271695D+00  0.442818D+01  0.751570D+01
      3  -0.810401D-01 -0.271695D+00  0.967006D+00 -0.192752D+00 -0.132635D+00
               231           232           233           234           235 
      1  -0.192752D+00  0.999777D+00  0.746858D+00  0.827385D+00 -0.662961D+01
      2  -0.132635D+00  0.746858D+00  0.156398D+01  0.674682D+00  0.639431D+00
      3   0.706360D+00  0.827385D+00  0.674682D+00 -0.171482D+00  0.609319D+00
               236           237           238           239           240 
      1   0.639431D+00  0.609319D+00  0.973971D+00 -0.105154D+01  0.171754D+00
      2  -0.220651D+01  0.385296D+00 -0.105154D+01  0.154378D+01  0.135611D+00
      3   0.385296D+00 -0.107021D+01  0.171754D+00  0.135611D+00  0.137383D+00
               241           242           243           244           245 
      1   0.856549D+00 -0.208718D-01 -0.492124D+00 -0.186009D-01 -0.874696D+00
      2  -0.208718D-01  0.671227D+00  0.114725D+00 -0.874696D+00 -0.649707D+00
      3  -0.492124D+00  0.114725D+00 -0.401724D+00  0.123810D+01  0.234162D+00
               246           247           248           249           250 
      1   0.123810D+01 -0.125685D+01 -0.114544D+01  0.387925D+00  0.259223D+01
      2   0.234162D+00 -0.114544D+01 -0.861965D+00  0.114041D+01  0.427100D+00
      3  -0.114345D+01  0.387925D+00  0.114041D+01 -0.153175D+01 -0.185642D+01
               251           252           253           254           255 
      1   0.427100D+00 -0.185642D+01  0.802787D+01 -0.119744D+01 -0.206567D+01
      2   0.152006D+01 -0.136544D+01 -0.119744D+01 -0.318844D+01 -0.103011D+01
      3  -0.136544D+01  0.529011D+01 -0.206567D+01 -0.103011D+01 -0.154522D+01
               256           257           258           259           260 
      1  -0.473793D+01 -0.268945D+01 -0.137213D+01 -0.724717D+01 -0.172129D+01
      2  -0.268945D+01  0.546852D+01 -0.284490D+00 -0.172129D+01 -0.175941D+01
      3  -0.137213D+01 -0.284490D+00 -0.231537D+01 -0.211004D+01 -0.237183D+01
               261           262           263           264           265 
      1  -0.211004D+01 -0.115596D+01  0.156435D+01 -0.671565D+00  0.254876D+01
      2  -0.237183D+01  0.156435D+01 -0.173635D+01  0.489498D+00 -0.375556D+01
      3   0.286244D+01 -0.671565D+00  0.489498D+00 -0.468367D+00  0.101129D+01
               266           267           268           269           270 
      1  -0.375556D+01  0.101129D+01 -0.562664D-01 -0.236438D+00 -0.369477D+00
      2   0.952280D+01 -0.207171D+01 -0.236438D+00  0.411906D+00  0.676707D+00
      3  -0.207171D+01  0.172646D+01 -0.369477D+00  0.676707D+00 -0.830456D+00
               271           272           273           274           275 
      1  -0.394108D+00  0.436574D+00 -0.475671D+00  0.141846D+01  0.243148D+00
      2   0.436574D+00  0.509590D+00  0.212417D+00  0.243148D+00  0.236061D+00
      3  -0.475671D+00  0.212417D+00  0.403564D+00  0.371977D+00 -0.655167D+00
               276           277           278           279           280 
      1   0.371977D+00 -0.179687D+01 -0.201993D+00 -0.741103D+00 -0.155442D+02
      2  -0.655167D+00 -0.201993D+00 -0.119373D+01  0.314699D+00 -0.154269D+01
      3   0.125624D+01 -0.741103D+00  0.314699D+00 -0.607746D+01 -0.194584D+00
               281           282           283           284           285 
      1  -0.154269D+01 -0.194584D+00  0.118138D+01 -0.118495D+01  0.163259D+00
      2  -0.125951D+01 -0.158140D+00 -0.118495D+01 -0.542622D+00  0.108894D+00
      3  -0.158140D+00 -0.100734D+01  0.163259D+00  0.108894D+00  0.366989D+00
               286           287           288           289           290 
      1   0.226182D+01  0.465963D+00 -0.107473D+01 -0.108798D+00 -0.759779D+00
      2   0.465963D+00  0.542987D+00  0.123567D+00 -0.759779D+00  0.184925D+01
      3  -0.107473D+01  0.123567D+00  0.598466D-01  0.242949D+00  0.360950D+00
               291           292           293           294           295 
      1   0.242949D+00 -0.161313D+01 -0.632701D+00 -0.144305D+00  0.998266D+00
      2   0.360950D+00 -0.632701D+00 -0.946324D+01 -0.974128D+00  0.307322D+00
      3   0.421582D+00 -0.144305D+00 -0.974128D+00 -0.103658D+01  0.901751D-01
               296           297 
      1   0.307322D+00  0.901751D-01
      2   0.553865D+00 -0.790757D+00
      3  -0.790757D+00 -0.383530D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.202612D+01  0.921122D+00  0.357999D+01  0.974882D+01  0.177340D+01
      2  -0.180501D+01 -0.198458D+01  0.403908D+01 -0.415378D+01 -0.182103D+01
      3   0.192451D+02 -0.158372D+01 -0.171284D+01  0.140716D+02  0.119896D+01
                 6             7             8             9            10 
      1  -0.215378D+01  0.250520D+01  0.340705D+01 -0.568518D-01 -0.317994D+01
      2   0.907449D+00 -0.285278D+01  0.843874D+00 -0.926965D+00 -0.199887D+00
      3  -0.539237D+01 -0.161980D+02 -0.236525D+01 -0.943075D+00 -0.446094D+02
                11            12            13            14            15 
      1  -0.658013D+00  0.147776D+01  0.232044D+01  0.418486D+01 -0.949309D+01
      2   0.997447D+00 -0.284660D+01  0.569120D+01 -0.602559D-01 -0.715774D-01
      3  -0.174029D+01  0.142297D+01  0.108577D+02 -0.225912D+01 -0.606966D+00
                16            17            18            19            20 
      1  -0.399807D+01 -0.207630D+01 -0.375284D+01 -0.258922D+01 -0.438792D+00
      2  -0.258862D+02 -0.181632D+01 -0.347874D+01  0.530265D+00 -0.276502D+01
      3  -0.318388D+00 -0.514639D+00 -0.121059D+01 -0.200265D+02 -0.158604D+00
                21            22            23            24            25 
      1  -0.192039D+01 -0.508097D+01  0.225365D+01  0.932197D+00 -0.108569D+01
      2   0.775877D+01 -0.403967D+01  0.191438D+01 -0.197983D+01 -0.597122D+01
      3   0.331593D+01  0.162747D+02 -0.393762D+00  0.271078D+01 -0.143596D+02
                26            27            28            29            30 
      1   0.323660D+01  0.205943D+01  0.197221D+00  0.204985D+01 -0.276961D+01
      2  -0.970435D+00  0.146852D+01  0.442296D+01  0.909489D+00 -0.380447D+01
      3   0.479124D+01  0.214245D+01  0.410046D+02 -0.183688D+01 -0.307492D+01
                31            32            33            34            35 
      1  -0.733482D+00  0.364325D+01 -0.966260D+01 -0.585632D+01 -0.880935D+00
      2   0.548506D+01 -0.145686D+00  0.248184D+01 -0.291045D+02  0.530560D+01
      3   0.684148D+01  0.561551D+01  0.131262D+01 -0.913435D+01 -0.127787D+01
                36            37            38            39            40 
      1  -0.264490D+01  0.149920D+00  0.119845D+01 -0.182490D+01  0.583682D+01
      2   0.193192D+01 -0.687225D+01 -0.112068D+01  0.433421D+01 -0.436788D+01
      3   0.219311D+01 -0.171941D+02 -0.149233D+00  0.329380D+01  0.629848D+01
                41            42            43            44            45 
      1  -0.224714D+01 -0.324478D+01  0.448059D+01  0.129477D+01 -0.184782D+01
      2  -0.257416D+01  0.106139D+01  0.670565D+00 -0.186113D+00 -0.278374D+01
      3   0.192247D+01 -0.266800D+01  0.239088D+02 -0.226662D+01 -0.489387D+01
                46            47            48            49            50 
      1   0.176923D+01 -0.214066D+01  0.146365D+01 -0.818658D+01 -0.251065D+01
      2   0.549145D+01 -0.283523D+01  0.938620D+01 -0.318241D+01  0.267006D+01
      3   0.244766D+02 -0.277552D+01  0.283611D+01  0.641941D+01 -0.195873D+01
                51            52            53            54            55 
      1  -0.220138D+01 -0.109978D+01  0.204479D+01 -0.212380D+00  0.176549D+01
      2  -0.352550D+01 -0.331013D+01 -0.123800D+01  0.297179D+01 -0.712118D+01
      3   0.278205D+01  0.177512D+02  0.136347D+00  0.258883D+01  0.298142D+02
                56            57            58            59            60 
      1   0.148484D+01 -0.222671D+00  0.389914D+01 -0.309761D+01  0.292868D+01
      2  -0.651165D+00 -0.323424D+01 -0.407425D+01 -0.120061D+02  0.921508D+01
      3   0.133556D+02 -0.212309D+00  0.442276D+02  0.103337D+02  0.813927D+01
                61            62            63            64            65 
      1  -0.396633D+00  0.800946D+01  0.413734D+01 -0.177296D+01  0.552362D-01
      2  -0.212615D+02  0.105359D+02  0.156683D+02  0.116485D+02 -0.238880D+00
      3   0.389054D+01  0.107117D+02 -0.586115D+01 -0.304528D+02 -0.163483D+02
                66            67            68            69            70 
      1  -0.908979D+00 -0.315925D+01 -0.230818D+01 -0.255959D+01  0.281053D+01
      2   0.668098D+01  0.484025D+01  0.154196D+02 -0.128451D+02 -0.980593D+00
      3   0.172993D+01 -0.312948D+02 -0.104263D+02 -0.132056D+02 -0.662690D+01
                71            72            73            74            75 
      1   0.560598D+01  0.195821D+01 -0.183443D+01 -0.637844D+01  0.964407D+00
      2  -0.109059D+02 -0.170410D+02 -0.183074D+02  0.516996D+01  0.241879D+01
      3  -0.144883D+02  0.854326D+01  0.185716D+02  0.948652D+01 -0.253209D+01
                76            77            78            79            80 
      1  -0.941282D+01  0.115527D+01 -0.145392D+02  0.749691D+00 -0.718710D+01
      2   0.651301D+01 -0.105572D+02  0.125291D+02  0.248782D+01  0.106971D+02
      3   0.182738D+02  0.291402D+01  0.167649D+02 -0.280201D+01  0.124464D+02
                81            82            83            84            85 
      1   0.360178D+01  0.574794D+01  0.408985D+01  0.177951D+01  0.604092D+01
      2   0.110670D+02  0.905127D+00 -0.371897D+01 -0.274040D+01 -0.698228D+01
      3  -0.104927D+02  0.256837D+02  0.444500D+01 -0.213187D+01  0.862242D+01
                86            87            88            89            90 
      1   0.930055D+01 -0.540396D+01  0.338281D+01  0.253740D+01 -0.162347D+02
      2  -0.136143D+02  0.118849D+02 -0.598894D+01  0.771501D+01  0.207062D+02
      3   0.303159D+01  0.964567D+01  0.115871D+01  0.113582D+02 -0.804503D+01
                91            92            93            94            95 
      1   0.145869D+01 -0.128118D+01  0.153790D+01  0.888718D+00 -0.194103D+01
      2  -0.122856D+02  0.549296D+00 -0.134280D+01 -0.182043D+00 -0.485471D+01
      3  -0.749789D+01  0.268053D+00 -0.737915D+00  0.385466D+02 -0.194222D+02
                96            97            98            99           100 
      1  -0.212585D+01  0.111987D+01  0.559806D+01 -0.186000D+00  0.187174D+01
      2  -0.975877D+01 -0.175532D+02 -0.943836D+01  0.117623D+02  0.519283D+01
      3  -0.154922D+01  0.237632D+01 -0.118688D+01  0.645659D+01  0.151673D+02
               101           102           103           104           105 
      1   0.155143D+01 -0.385523D+01  0.821606D+00 -0.167051D+01  0.236517D+01
      2  -0.366179D+01  0.766435D+01 -0.140704D+01  0.590291D+01  0.182044D+02
      3  -0.155861D+02  0.176878D+01 -0.611614D+01  0.197596D+01 -0.465843D+01
               106           107           108           109           110 
      1  -0.316042D+01 -0.272901D+01  0.474078D+01 -0.388404D+01 -0.211357D+01
      2  -0.167048D+01  0.135533D+02  0.850687D+01 -0.772216D+01  0.201906D+01
      3   0.145420D+02 -0.157619D+02 -0.105672D+02 -0.911706D+00 -0.412783D+00
               111           112           113           114           115 
      1   0.222937D+01 -0.226814D+01  0.456949D+01 -0.695164D+01  0.357602D+00
      2   0.421248D+01 -0.235605D+01 -0.104464D+02 -0.143718D+02  0.159178D+01
      3  -0.231295D-01 -0.655796D+01  0.198068D+02  0.125615D+02 -0.164821D+02
               116           117           118           119           120 
      1   0.747108D+01 -0.104059D+02  0.291710D+01  0.185080D-01  0.484398D+00
      2  -0.125121D+02 -0.303337D+02  0.379082D+01  0.624123D+00  0.196582D+01
      3   0.199955D+02  0.130964D+02 -0.411747D+01  0.467605D+01 -0.280166D+01
               121           122           123           124           125 
      1   0.209337D+00  0.333275D+01 -0.123677D+01 -0.126488D+01  0.676532D+01
      2   0.273968D+01  0.123034D+01 -0.843295D+00 -0.679596D+00 -0.413466D+01
      3   0.849712D+01 -0.210975D+02 -0.544697D+00  0.333469D+01 -0.478415D+01
               126           127           128           129           130 
      1   0.742219D+01  0.308718D+01  0.120706D+01  0.279043D+01 -0.201811D+01
      2   0.147423D+02 -0.460994D+01  0.855114D-02 -0.312839D+00  0.156902D+01
      3   0.524713D+01 -0.532483D+01 -0.985924D+00 -0.262549D+01  0.409046D+01
               131           132           133           134           135 
      1   0.224057D+00 -0.360576D+01  0.309109D+01  0.113099D+01  0.517385D+01
      2   0.263937D+00 -0.108931D+01 -0.242667D+01 -0.483127D+00  0.213709D+01
      3   0.589540D+00  0.794101D+00 -0.326181D+01 -0.142723D+01 -0.192982D+01
               136           137           138           139           140 
      1   0.206637D+01 -0.877240D+00 -0.252422D+01  0.103075D+01  0.785733D-01
      2   0.427170D+01  0.465282D+00 -0.117027D+01  0.592601D+00 -0.135322D+00
      3   0.281815D+01  0.848471D-01 -0.215945D+01  0.146768D+01 -0.254141D+00
               141           142           143           144           145 
      1  -0.352017D+01 -0.204367D+01  0.191860D+01  0.636756D+01 -0.230850D+01
      2   0.508854D+00 -0.440212D+01 -0.524637D+00 -0.532847D+00 -0.796156D+01
      3  -0.654010D+00 -0.264560D+01  0.767651D+00  0.227254D+01  0.414388D+00
               146           147           148           149           150 
      1   0.300497D+01 -0.954912D+00  0.122097D+01 -0.136129D+01 -0.453943D+00
      2   0.147381D+01 -0.162147D+01  0.202363D+01 -0.516185D+00  0.354812D+00
      3  -0.137147D+01  0.722103D+00  0.450615D+00  0.127240D+01 -0.191517D+00
               151           152           153           154           155 
      1  -0.212680D+01  0.414796D+01 -0.317293D+01 -0.251031D+01 -0.210589D+01
      2  -0.472036D+01  0.622965D+00  0.244149D+00  0.469719D+01  0.122982D+01
      3   0.640132D+00 -0.227546D+01  0.164991D+01 -0.669667D+00 -0.101225D+01
               156           157           158           159           160 
      1   0.130828D+01 -0.398251D+00 -0.120494D+01 -0.682705D-01  0.351385D+01
      2  -0.125992D+01  0.241723D+00 -0.349713D-01  0.372110D+00 -0.504518D+01
      3   0.997388D+00  0.893162D+00 -0.392381D+00  0.304611D+00  0.146586D+01
               161           162           163           164           165 
      1   0.531804D+01 -0.568916D+01 -0.126742D+01 -0.476629D+00  0.142994D+01
      2  -0.617992D+00 -0.205548D+01 -0.610773D+01  0.913413D+00  0.557044D+01
      3   0.223320D+01 -0.195952D+01 -0.147513D+01 -0.408863D+01  0.729890D+00
               166           167           168           169           170 
      1  -0.166704D+00 -0.145573D+00 -0.216810D+01  0.262746D+01  0.874982D+00
      2   0.199654D+01 -0.341302D+01 -0.506115D+01  0.577141D+01 -0.917114D+01
      3  -0.558430D+01  0.226590D+01  0.311228D+01  0.372720D+01  0.577582D+01
               171           172           173           174           175 
      1  -0.698691D+01  0.166255D+01 -0.132594D+01  0.178856D+01 -0.235630D+01
      2  -0.220079D+02  0.685743D+01 -0.256010D+01  0.488170D+01 -0.322165D+01
      3   0.427859D+01  0.210723D+01 -0.708964D+01  0.190624D+00 -0.591480D+01
               176           177           178           179           180 
      1   0.380270D+01 -0.465109D+01  0.176368D+01 -0.213557D+01  0.304108D+01
      2   0.764599D+01 -0.563614D+01  0.458152D+01 -0.687285D+01  0.447409D+01
      3   0.147887D+02 -0.413353D+01 -0.320347D+01 -0.901092D+01  0.390018D+01
               181           182           183           184           185 
      1   0.287553D+00 -0.517059D+00 -0.268579D+00  0.142387D+00  0.466252D+00
      2  -0.355146D+01  0.570150D+00  0.912322D+01 -0.478489D+00 -0.310300D+01
      3   0.564600D+01 -0.868927D+01 -0.842899D+00 -0.135686D+01  0.500455D+01
               186           187           188           189           190 
      1  -0.993276D+00 -0.491120D+00  0.963812D+00 -0.153327D+00 -0.184159D+01
      2   0.127456D+00  0.615594D+01  0.640231D+00 -0.497764D+00  0.202042D+02
      3   0.326902D+01  0.789004D+00  0.401128D+01 -0.926524D+00 -0.102521D+02
               191           192           193           194           195 
      1  -0.265322D+01  0.125522D+01 -0.124151D+01  0.350675D+00  0.398309D-01
      2  -0.335362D+01 -0.764107D+01 -0.276438D+01  0.503322D+01  0.201605D+01
      3   0.337378D+01  0.393657D+01  0.413775D+01 -0.336957D+01 -0.351894D+01
               196           197           198           199           200 
      1   0.118221D+01  0.206173D+01 -0.291611D+00  0.348011D+01  0.513527D+01
      2  -0.816393D+01  0.953563D+00  0.495922D+01  0.233266D+01  0.260738D+00
      3   0.219610D+01 -0.206875D+01 -0.156251D+01 -0.927154D+01 -0.114127D+02
               201           202           203           204           205 
      1  -0.531025D+00  0.580877D+01  0.772038D+01  0.267329D+00  0.986799D+00
      2   0.606176D+01 -0.272872D-02  0.490916D+01  0.692272D+01  0.248539D+01
      3  -0.359443D+01 -0.106485D+02 -0.197530D+02 -0.945721D+01 -0.161985D+01
               206           207           208           209           210 
      1   0.281277D+01  0.688751D+00 -0.255619D+01  0.320243D+01 -0.203535D+01
      2   0.289754D+01  0.315992D+01  0.555199D+01 -0.131068D+01  0.486012D+01
      3  -0.515464D+01 -0.378897D+01  0.245876D+01 -0.593452D+01  0.319583D+01
               211           212           213           214           215 
      1   0.283388D+01 -0.975389D+01  0.564457D+01 -0.227602D+01  0.796992D+01
      2  -0.126402D+01  0.890655D+01 -0.138441D+02  0.143018D+01 -0.806609D+01
      3  -0.331057D+01  0.141945D+02 -0.101144D+02  0.259337D+01 -0.868239D+01
               216           217           218           219           220 
      1  -0.624878D+01  0.163916D+01 -0.621222D+00 -0.164677D+01 -0.280120D+00
      2   0.141510D+02 -0.478929D+01 -0.319061D+00  0.327105D+01 -0.573446D+00
      3   0.886380D+01 -0.236675D+01 -0.253047D+01 -0.103811D+01 -0.403336D+00
               221           222           223           224           225 
      1   0.200022D+01  0.237921D+01 -0.160976D+01  0.488718D+01  0.161946D+02
      2  -0.210079D+01 -0.522152D+01 -0.310109D+00  0.298347D+00 -0.314207D+02
      3   0.157296D+01  0.203873D+01 -0.117795D+01  0.457771D+01 -0.103728D+01
               226           227           228           229           230 
      1  -0.425382D+01 -0.455161D+01 -0.308587D+01 -0.567001D+01 -0.871446D+01
      2   0.349997D+01  0.250777D+01  0.534041D+01  0.353763D+01  0.392786D+01
      3  -0.759002D+01 -0.112652D+02  0.133913D+01 -0.697889D+01 -0.222149D+02
               231           232           233           234           235 
      1  -0.382837D+01 -0.231929D+01 -0.175827D+01 -0.867954D+00 -0.604406D+00
      2   0.358873D+01  0.350038D+01  0.282774D+01  0.235397D+00 -0.826827D+01
      3   0.367445D+00 -0.940594D+00 -0.535296D+01 -0.128051D+01 -0.215020D+02
               236           237           238           239           240 
      1   0.201934D+01  0.252317D+01  0.102241D+01 -0.160439D+01 -0.961861D+00
      2   0.208409D+01 -0.121954D+01  0.199350D+01 -0.102380D+01 -0.373854D+00
      3   0.700798D+01 -0.197912D+00  0.706073D+01 -0.676063D+01 -0.547173D+00
               241           242           243           244           245 
      1   0.172839D+01  0.592162D+00  0.158908D+00  0.135549D-02 -0.374305D+00
      2  -0.309857D+01 -0.223149D+00 -0.190615D+01 -0.499775D+01 -0.448933D+00
      3   0.117405D+01 -0.256717D+01 -0.151216D+01 -0.310648D+01 -0.207012D+01
               246           247           248           249           250 
      1  -0.640539D+00 -0.155852D+00  0.273393D+00 -0.166197D+01 -0.530133D+00
      2   0.378111D+01 -0.694450D-01 -0.282010D+01  0.524830D+01  0.113399D+01
      3   0.534115D-01 -0.824893D+00 -0.189581D+01  0.295023D+01 -0.796904D+00
               251           252           253           254           255 
      1   0.216265D+01  0.253409D+01 -0.165669D+01  0.735655D+00 -0.226369D+01
      2   0.430738D+01 -0.164312D+02  0.191665D+02  0.444693D+01  0.818675D+01
      3   0.436288D+01 -0.309699D+01 -0.168245D+02 -0.117768D+02 -0.479454D+00
               256           257           258           259           260 
      1  -0.139325D+01 -0.588508D+01 -0.568822D+01 -0.100964D+01 -0.864661D+00
      2   0.411815D+01 -0.480965D+00  0.813851D+01  0.561999D+01  0.908343D+01
      3  -0.258597D+01  0.249157D+02  0.152308D+01  0.167081D+01 -0.201171D+01
               261           262           263           264           265 
      1   0.792279D+01  0.574140D-01  0.393783D+00  0.890013D+00  0.465107D+00
      2  -0.158344D+02  0.140620D+01 -0.966934D+00  0.159477D+01 -0.204678D+01
      3  -0.643268D+01  0.311863D+01 -0.381625D+01  0.149383D+01 -0.769895D+01
               266           267           268           269           270 
      1  -0.326513D+01 -0.369249D+01 -0.441307D+00  0.553991D+00 -0.297650D+00
      2   0.569570D+01 -0.600936D+01  0.467925D+00 -0.167688D+01  0.225626D+01
      3   0.299469D+02 -0.642798D+01 -0.553830D+00  0.151583D+01  0.206048D+01
               271           272           273           274           275 
      1  -0.180734D+01 -0.722145D+00  0.405487D+00 -0.722586D-01 -0.249290D+01
      2   0.456760D+01  0.195806D+00 -0.220785D+01  0.125503D+01  0.329911D+01
      3   0.222677D+01  0.914891D+00  0.942837D+00  0.511684D+00  0.899072D+00
               276           277           278           279           280 
      1   0.198531D+01 -0.291716D+00  0.448860D+01 -0.102103D+02  0.795931D+00
      2  -0.537589D+01 -0.227347D+01 -0.235245D+01  0.241949D+02 -0.935763D+01
      3  -0.278609D+01  0.120577D+01 -0.429557D+01  0.281359D+01  0.157510D+02
               281           282           283           284           285 
      1   0.695982D+00 -0.178793D+01  0.963834D+00  0.500321D+00  0.858744D-01
      2  -0.118988D+00  0.758626D+01 -0.656210D+00 -0.110609D+01 -0.134772D+01
      3  -0.619449D+01 -0.759830D+00 -0.491132D+01 -0.414801D+00  0.345960D+00
               286           287           288           289           290 
      1  -0.185667D+01  0.889685D+00 -0.102501D+00  0.108576D+01 -0.527860D+00
      2   0.434294D+01 -0.793108D+00 -0.465852D+00 -0.973327D+00 -0.181401D+01
      3  -0.146320D+01  0.162878D+01  0.211271D+01 -0.440244D+01  0.656577D+01
               291           292           293           294           295 
      1   0.133258D+01 -0.267259D+00  0.601590D+01 -0.365335D+01  0.649337D+00
      2  -0.142544D+01 -0.774448D+00  0.399527D+01  0.379315D+01 -0.153847D+01
      3   0.400958D+00  0.364251D+01 -0.325431D+02 -0.256191D+01 -0.839974D+00
               296           297 
      1  -0.461067D+00 -0.846161D-01
      2   0.260787D+01  0.147479D+01
      3   0.117983D+01 -0.267907D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.759288D+01  0.899197D+01 -0.211249D+02 -0.206941D+01 -0.138351D+02
      2   0.358367D+01 -0.724159D+01  0.683865D+01 -0.689136D+01  0.219118D+02
      3   0.400921D+01 -0.175038D+01  0.142863D+02  0.896076D+01 -0.807671D+01
      4   0.101968D+02 -0.235687D+00  0.667489D+01  0.827660D+01 -0.681820D+01
      5  -0.111296D+02  0.594154D+01 -0.136469D+01  0.103706D+02  0.336522D+01
      6   0.487738D+01  0.426031D+01 -0.434200D+01 -0.716125D+00 -0.643065D+01
                 6             7             8             9            10 
      1   0.666818D+01  0.374545D+02 -0.205983D+01  0.100516D+02  0.584856D+02
      2  -0.127535D+02 -0.112128D+02 -0.139653D+01 -0.519022D+01 -0.282952D+02
      3   0.608535D+01 -0.262416D+02  0.345635D+01 -0.486142D+01 -0.301905D+02
      4   0.223954D+01 -0.307019D+01  0.798319D+00  0.690830D+01 -0.929054D+01
      5   0.673683D+01  0.471276D+01  0.709729D+01 -0.611478D+01 -0.855204D+01
      6   0.424609D+01  0.112009D+02 -0.337023D+01  0.696481D+01  0.198294D+01
                11            12            13            14            15 
      1   0.857142D+01 -0.223592D+01  0.156120D+02 -0.239171D+01  0.451913D+01
      2  -0.731642D+01  0.412072D+01 -0.153979D+02  0.809146D+01 -0.664944D-01
      3  -0.125500D+01 -0.188479D+01 -0.214083D+00 -0.569975D+01 -0.445264D+01
      4   0.156051D+01 -0.358691D+01  0.165199D+02 -0.696904D+01 -0.141296D+01
      5  -0.440232D+01  0.102057D+02  0.114204D+02 -0.262512D+00 -0.318544D+01
      6   0.122768D+01 -0.671210D+01 -0.441107D+01  0.397595D+01  0.830158D+01
                16            17            18            19            20 
      1  -0.946412D+01  0.476517D+01 -0.181137D+02  0.618586D+01 -0.108052D+02
      2  -0.537707D+00  0.425821D+01  0.217751D+01  0.531183D+00  0.104930D+02
      3   0.100018D+02 -0.902338D+01  0.159362D+02 -0.671705D+01  0.312172D+00
      4   0.131836D+02 -0.891524D+00 -0.281046D+01 -0.842852D+01 -0.382253D+00
      5  -0.139547D+02 -0.388251D+01 -0.287578D+01  0.116793D+02  0.154592D+01
      6  -0.621755D+01  0.226916D+01 -0.343048D+01 -0.230668D+01 -0.532498D+01
                21            22            23            24            25 
      1   0.190307D+02  0.494888D+01 -0.111508D+02 -0.513372D+01 -0.199884D+02
      2  -0.114956D+02  0.388915D+01  0.165800D+02 -0.101076D+02  0.141957D+01
      3  -0.753510D+01 -0.883803D+01 -0.542919D+01  0.152413D+02  0.185689D+02
      4   0.231008D+01  0.149395D+02  0.677266D+01 -0.232047D+01 -0.147539D+01
      5  -0.116136D+02  0.758109D-01 -0.152527D+01 -0.124364D+01  0.882410D+01
      6   0.553081D+01 -0.178435D+00 -0.688614D+01  0.558153D+01 -0.114256D+02
                26            27            28            29            30 
      1  -0.314935D+01  0.884438D+01  0.242795D+02 -0.477196D+01  0.279205D+01
      2  -0.312498D+01 -0.416291D+00 -0.607309D+01  0.667218D+01  0.253333D+00
      3   0.627433D+01 -0.842809D+01 -0.182064D+02 -0.190022D+01 -0.304538D+01
      4  -0.250456D+01 -0.671762D+01  0.177739D+02  0.276390D+01 -0.155168D+01
      5  -0.667686D+01  0.803099D+01  0.420116D+01 -0.110722D+01  0.812267D+01
      6   0.111335D+01  0.840573D+01  0.505897D+01 -0.105306D+01  0.556637D+01
                31            32            33            34            35 
      1  -0.521281D+01 -0.436291D+00  0.731624D+01 -0.704559D+01  0.875526D+01
      2   0.915077D+01  0.489032D+01 -0.235868D+01  0.158444D+01  0.162811D+01
      3  -0.393795D+01 -0.445403D+01 -0.495756D+01  0.546115D+01 -0.103834D+02
      4   0.153418D+02  0.497612D+00  0.138118D+01  0.100700D+02  0.529718D+01
      5   0.123471D+02  0.103138D+00  0.916953D+00 -0.161203D+02  0.391171D+01
      6  -0.176184D+01  0.328521D+01  0.601505D+01 -0.324162D+00  0.146077D+01
                36            37            38            39            40 
      1  -0.166472D+02 -0.291194D+01  0.438503D+01 -0.221892D+02 -0.106239D+02
      2   0.281652D+01 -0.161077D+01 -0.214301D+01  0.604714D+01 -0.170143D+01
      3   0.138307D+02  0.452271D+01 -0.224201D+01  0.161421D+02  0.123254D+02
      4   0.257744D+01  0.344321D+01 -0.162370D+01  0.321818D+01  0.484622D+01
      5   0.698297D+00 -0.155210D+02  0.269754D+01 -0.291817D+01  0.119133D+01
      6  -0.639947D+01  0.214440D+01  0.482831D+01  0.584205D+01  0.252498D+01
                41            42            43            44            45 
      1  -0.477000D+01 -0.591990D+01  0.231486D+02 -0.864568D+01  0.624668D+01
      2   0.552916D+01  0.441506D+00  0.133343D+00  0.178536D+01 -0.103683D+01
      3  -0.759166D+00  0.547839D+01 -0.232819D+02  0.686032D+01 -0.520985D+01
      4  -0.730676D+00  0.356310D+01  0.325299D+01  0.450800D+01  0.627849D+01
      5   0.167588D+01  0.832518D+01  0.100149D+02  0.562911D+01 -0.607647D+01
      6   0.303495D+01  0.789188D+01  0.112674D+02  0.172467D+01  0.102974D+02
                46            47            48            49            50 
      1  -0.202572D+00 -0.779578D+01  0.183401D+02  0.136284D+02 -0.182785D+01
      2   0.730195D+01  0.347695D+01 -0.691865D+01 -0.371822D+01  0.236667D+01
      3  -0.709938D+01  0.431884D+01 -0.114215D+02 -0.991017D+01 -0.538819D+00
      4  -0.189157D+01  0.406383D+01 -0.180956D+01  0.944941D+01  0.469691D+01
      5   0.177830D+02 -0.865259D-02 -0.804940D+01 -0.944773D+01 -0.416746D+01
      6   0.110944D+01 -0.366200D+01  0.234708D+00 -0.237402D+01  0.425940D+01
                51            52            53            54            55 
      1  -0.179712D+02 -0.235344D+02 -0.973633D+01  0.508829D+01 -0.355977D+02
      2   0.271386D+01  0.358418D+01  0.266189D+01  0.509505D+01  0.161540D+02
      3   0.152573D+02  0.199502D+02  0.707444D+01 -0.101833D+02  0.194437D+02
      4  -0.453749D+01  0.335162D+01 -0.222869D+01 -0.481310D+01 -0.630992D+01
      5  -0.342990D+01  0.862643D+01 -0.392435D+01  0.656924D+01 -0.423157D+01
      6   0.129954D+02 -0.563892D+01  0.549103D+01  0.128582D+02  0.574134D+00
                56            57            58            59            60 
      1  -0.104270D+02 -0.471783D+01 -0.380571D+02 -0.254257D+02  0.166173D+01
      2   0.733627D+01 -0.137623D+00  0.262345D+02  0.636166D+01  0.592669D+01
      3   0.309075D+01  0.485546D+01  0.118227D+02  0.190640D+02 -0.758842D+01
      4  -0.286419D+02  0.719217D+00 -0.493302D+02  0.125020D+02 -0.153510D+02
      5   0.397810D+00 -0.140141D+02 -0.776564D+00 -0.151381D+02  0.163267D+02
      6   0.488880D-01  0.202405D+01 -0.500905D+00  0.399801D+01 -0.596250D+01
                61            62            63            64            65 
      1  -0.149649D+02  0.841732D+00 -0.331081D+01 -0.923610D+02  0.300183D+02
      2  -0.213756D+01  0.725197D+01  0.663171D+01  0.502422D+02 -0.137342D+02
      3   0.171024D+02 -0.809370D+01 -0.332090D+01  0.421188D+02 -0.162840D+02
      4  -0.893351D+00 -0.197116D+02  0.280347D+02  0.288952D+02  0.242215D+02
      5  -0.258555D+02  0.246664D+02  0.357226D+02  0.236492D+02 -0.236008D+01
      6   0.122933D+02 -0.604825D+01 -0.109514D+02  0.118480D+01 -0.270861D+01
                66            67            68            69            70 
      1   0.231804D+02  0.683026D+02  0.243466D+02 -0.761378D+01  0.355110D+02
      2  -0.131993D+02 -0.315718D+02 -0.109582D+02  0.796835D+01 -0.144216D+02
      3  -0.998108D+01 -0.367308D+02 -0.133883D+02 -0.354572D+00 -0.210894D+02
      4  -0.131844D+01  0.331833D+02  0.113705D+02  0.232788D+02  0.297424D+01
      5   0.760585D+01 -0.161925D+01  0.247725D+02 -0.227865D+02  0.781525D+00
      6   0.172060D+01  0.202570D+01  0.630224D+01 -0.426450D+01 -0.314412D+01
                71            72            73            74            75 
      1  -0.369048D+01  0.305862D+01  0.364430D+02 -0.232666D+02 -0.189055D+02
      2   0.780713D+01 -0.195451D+01 -0.194813D+02  0.505203D+01  0.107534D+02
      3  -0.411665D+01 -0.110411D+01 -0.169617D+02  0.182146D+02  0.815211D+01
      4   0.219829D+02 -0.182097D+02 -0.218666D+02 -0.324406D+02 -0.576431D+01
      5  -0.187426D+02 -0.316410D+02 -0.109111D+02 -0.800255D+01 -0.187659D+02
      6  -0.529843D+01 -0.507527D+01 -0.150024D+02 -0.918724D+01 -0.799966D+00
                76            77            78            79            80 
      1  -0.312238D+02 -0.270686D+02 -0.150452D+01 -0.211841D+02  0.104961D+01
      2   0.684558D+01  0.174149D+02 -0.124721D+02  0.108449D+02 -0.123178D+02
      3   0.243782D+02  0.965367D+01  0.139766D+02  0.103392D+02  0.112681D+02
      4  -0.422221D+02 -0.151029D+02 -0.373442D+02 -0.200642D+01 -0.263673D+02
      5  -0.921384D+01 -0.442594D+02  0.234190D+02 -0.110207D+02  0.209462D+02
      6  -0.152430D+02 -0.686502D+01 -0.998226D+01  0.168230D+01 -0.813941D+01
                81            82            83            84            85 
      1  -0.107542D+02  0.366190D+02 -0.215744D+02 -0.114145D+02 -0.296357D+02
      2   0.160932D+01 -0.356441D+02 -0.175038D+00  0.543611D+01  0.444553D+00
      3   0.914488D+01 -0.974939D+00  0.217495D+02  0.597840D+01  0.291911D+02
      4   0.183116D+02 -0.179026D+02 -0.389346D+02 -0.279453D+00 -0.401056D+02
      5   0.109402D+02 -0.144165D+02  0.593647D+01 -0.580687D+01  0.337166D+01
      6   0.134019D+02  0.141449D+01  0.446430D+01 -0.306635D+01  0.306608D+01
                86            87            88            89            90 
      1  -0.259767D+02  0.834557D+01 -0.131010D+02  0.285791D+01  0.336429D+00
      2  -0.101422D+01 -0.552033D+01  0.659862D+00 -0.678196D+01  0.235680D+02
      3   0.269909D+02 -0.282524D+01  0.124412D+02  0.392405D+01 -0.239044D+02
      4  -0.336694D+02 -0.146294D+02 -0.102494D+02 -0.222425D+02  0.114385D+02
      5  -0.124218D+02  0.226618D+02 -0.392880D+01  0.147891D+02  0.488203D+02
      6  -0.568141D+01  0.108649D+02 -0.123969D+01  0.102834D+02  0.101793D+02
                91            92            93            94            95 
      1   0.140848D+01 -0.317832D+01 -0.703556D+01 -0.503945D+01 -0.181427D+02
      2  -0.453003D+01 -0.950447D+00  0.141585D+01  0.807369D+01  0.803819D+01
      3   0.312156D+01  0.412876D+01  0.561972D+01 -0.303424D+01  0.101045D+02
      4  -0.172387D+02 -0.158116D+02 -0.440354D+01 -0.411887D+02  0.198101D+02
      5  -0.186896D+02 -0.260512D+01 -0.109103D+02 -0.118956D+02 -0.651850D+01
      6  -0.114467D+01 -0.607169D+01 -0.670707D+01 -0.158299D+01  0.286001D+01
                96            97            98            99           100 
      1  -0.782114D+01 -0.184365D+02 -0.869407D+01 -0.453288D+01  0.674509D+01
      2   0.388823D+01  0.328906D+01 -0.452027D+00  0.653279D+01 -0.236034D+01
      3   0.393291D+01  0.151474D+02  0.914609D+01 -0.199991D+01 -0.438475D+01
      4  -0.627609D+01 -0.208732D+02 -0.670489D+01 -0.218784D+02  0.101211D+02
      5  -0.188814D+02 -0.204178D+02 -0.207123D+02  0.224960D+02  0.124024D+02
      6  -0.342753D+01 -0.985585D+01 -0.485216D+01  0.819546D+01 -0.635416D+01
               101           102           103           104           105 
      1   0.291946D+01  0.436548D+01  0.179184D+02  0.520084D+01  0.151258D+01
      2  -0.962841D+00 -0.275163D+01 -0.161884D+02  0.157939D+01  0.361755D+01
      3  -0.195662D+01 -0.161385D+01 -0.172999D+01 -0.678024D+01 -0.513013D+01
      4   0.154582D+01 -0.418704D+01 -0.351266D+00 -0.133403D+02  0.106456D+02
      5  -0.563755D+01 -0.385284D+01 -0.135808D+02  0.130629D+02  0.352637D+02
      6   0.442340D+01  0.719796D+01  0.693886D+01 -0.125932D+02 -0.198799D+02
               106           107           108           109           110 
      1   0.164171D+02 -0.633445D+00  0.428708D+00  0.188016D+02 -0.139782D+02
      2   0.848054D-01 -0.107359D+02  0.295927D+01 -0.111247D+02  0.646761D+01
      3  -0.165019D+02  0.113693D+02 -0.338797D+01 -0.767696D+01  0.751062D+01
      4  -0.153700D+02  0.318340D+02  0.253810D+02 -0.193225D+02  0.172756D+02
      5  -0.215455D+02  0.264499D+02  0.172218D+02 -0.283261D+02  0.921033D+01
      6   0.146106D+02 -0.234058D+02 -0.125634D+02  0.117716D+02 -0.291836D+01
               111           112           113           114           115 
      1  -0.213823D+02 -0.164041D+02 -0.727719D+01 -0.665933D+01 -0.298612D+02
      2   0.137886D+02  0.500921D+01  0.167954D+02  0.420915D+01  0.163293D+02
      3   0.759372D+01  0.113949D+02 -0.951824D+01  0.245018D+01  0.135318D+02
      4   0.121714D+02  0.292362D+02 -0.333773D+02 -0.240778D+02  0.276937D+02
      5   0.209447D+02  0.193520D+02 -0.265270D+02 -0.295377D+02  0.379332D+02
      6  -0.494224D+01 -0.908491D+01  0.253044D+02  0.270776D+02 -0.159728D+02
               116           117           118           119           120 
      1  -0.419940D+01 -0.592290D+01  0.906357D+01 -0.471756D+01  0.119153D+02
      2   0.767386D+01 -0.144898D+02 -0.760236D+01  0.880422D+01 -0.822473D+01
      3  -0.347445D+01  0.204127D+02 -0.146121D+01 -0.408666D+01 -0.369060D+01
      4  -0.353861D+02 -0.266731D+02 -0.146571D+00 -0.703668D+01 -0.294588D+01
      5  -0.299832D+02 -0.656839D+02  0.104610D+02  0.143653D+01  0.770600D+01
      6   0.289743D+02  0.369456D+02 -0.391351D+01 -0.207327D+01 -0.148026D+01
               121           122           123           124           125 
      1  -0.178577D+01 -0.246810D+01  0.349807D+01  0.187299D+02  0.126818D+01
      2   0.115631D+02 -0.201336D+02  0.268563D+00 -0.108523D+02 -0.107490D+01
      3  -0.977729D+01  0.226017D+02 -0.376663D+01 -0.787764D+01 -0.193279D+00
      4  -0.182728D+02  0.499135D+02 -0.133602D+01 -0.849848D+01  0.740148D+01
      5   0.278554D+01 -0.173871D+01 -0.219319D+01  0.169381D+02 -0.107572D+02
      6  -0.481507D+01  0.483303D+01  0.697340D+01 -0.432363D+01  0.134712D+02
               126           127           128           129           130 
      1  -0.185067D+01  0.237514D+01  0.235885D+01 -0.129521D+01 -0.121988D+00
      2  -0.744975D+01 -0.235101D+01 -0.258384D+01 -0.167837D+01  0.799510D+00
      3   0.930042D+01 -0.241252D-01  0.224984D+00  0.297358D+01 -0.677521D+00
      4  -0.101044D+02 -0.101399D+02  0.759305D+01 -0.806218D+01  0.504726D+01
      5   0.299475D+02  0.156139D+02 -0.566971D+01  0.140900D+02 -0.796424D+01
      6  -0.173301D+02 -0.862073D+01  0.585841D+01 -0.866017D+01  0.558880D+01
               131           132           133           134           135 
      1  -0.404155D+01  0.478304D+01 -0.437884D+01  0.815975D+01 -0.147558D+02
      2   0.228806D+01 -0.368019D+00 -0.187431D+01 -0.410799D+01 -0.201359D+01
      3   0.175350D+01 -0.441502D+01  0.625315D+01 -0.405176D+01  0.167694D+02
      4  -0.577095D+01  0.589752D+01 -0.853809D+01  0.752519D+01 -0.107010D+02
      5   0.521410D+01 -0.829366D+01  0.153536D+02 -0.789541D+01  0.208903D+02
      6  -0.653490D+01  0.879041D+01 -0.107667D+02  0.121917D+02 -0.192511D+02
               136           137           138           139           140 
      1  -0.309026D+01 -0.171421D+01  0.562377D+01 -0.255648D+01 -0.468085D+01
      2  -0.260157D+01  0.323532D+00  0.270931D+01 -0.402762D+00  0.118678D+01
      3   0.569183D+01  0.139068D+01 -0.833309D+01  0.295924D+01  0.349407D+01
      4   0.552392D+01  0.354458D+01 -0.550140D+01  0.230940D+01  0.175224D+01
      5  -0.879214D+01 -0.342516D+01  0.114902D+02 -0.308519D+01 -0.248716D+01
      6  -0.600809D+01 -0.348839D+01  0.649659D+01 -0.293858D+01 -0.540284D+01
               141           142           143           144           145 
      1   0.817212D+01  0.756551D+01  0.107608D+02 -0.292846D+02  0.259459D+01
      2   0.111803D+00  0.202660D+01 -0.284203D+01 -0.548615D+01 -0.566013D+01
      3  -0.828393D+01 -0.959211D+01 -0.791877D+01  0.347708D+02  0.306554D+01
      4  -0.281741D+01 -0.569170D+01 -0.510615D+01  0.809120D+01 -0.100386D+01
      5   0.352622D+01  0.102800D+02  0.500337D+01 -0.165468D+02  0.118932D+02
      6   0.890275D+01  0.859511D+01  0.127014D+02 -0.240805D+02 -0.656192D+00
               146           147           148           149           150 
      1   0.430973D+00 -0.128723D+01  0.823270D+00 -0.165676D+01  0.512606D+01
      2   0.832797D+00 -0.472591D+01  0.211775D+01 -0.530880D+00  0.270476D+01
      3  -0.126377D+01  0.601314D+01 -0.294102D+01  0.218764D+01 -0.783082D+01
      4   0.328264D+01 -0.823963D+00  0.224259D+01 -0.302553D+01  0.963627D+00
      5  -0.281648D+01  0.102740D+02 -0.422110D+01  0.313035D+01 -0.643772D+01
      6   0.171596D+01 -0.732512D+00  0.610327D+00 -0.272266D+01  0.217019D+01
               151           152           153           154           155 
      1  -0.376990D+01  0.391401D+01 -0.135237D+02 -0.161485D+00  0.671258D+00
      2  -0.607123D+01  0.147941D+01 -0.964079D+01 -0.562745D+01 -0.151710D+01
      3   0.984113D+01 -0.539342D+01  0.231645D+02  0.578894D+01  0.845841D+00
      4  -0.121088D+01  0.249474D+01 -0.175102D+01  0.126371D+01  0.253668D+01
      5   0.127673D+02 -0.414914D+01  0.162454D+02 -0.983554D+01 -0.226945D+01
      6  -0.162089D+01  0.460833D+01 -0.302946D+01  0.794410D+00 -0.144482D+01
               156           157           158           159           160 
      1   0.262843D+01 -0.221528D+01 -0.292958D+01  0.676376D+01  0.374326D+01
      2   0.579794D+01 -0.590863D+00 -0.691015D+00  0.302527D+01  0.746592D+01
      3  -0.842636D+01  0.280615D+01  0.362060D+01 -0.978902D+01 -0.112092D+02
      4  -0.507305D+00  0.124796D+01  0.954806D+00 -0.143552D+01 -0.196960D+01
      5   0.123198D+02 -0.208548D+01 -0.259035D+01  0.369853D+01  0.129207D+02
      6  -0.154725D+01 -0.959535D+00 -0.235932D+01  0.189316D+01  0.193944D+00
               161           162           163           164           165 
      1   0.316800D+01 -0.229251D+02  0.102780D+02 -0.271964D+01 -0.877327D+01
      2   0.241065D+01 -0.163619D+02 -0.802966D+01  0.836011D+00  0.625614D+01
      3  -0.557865D+01  0.392870D+02 -0.224834D+01  0.188363D+01  0.251713D+01
      4  -0.338207D+01  0.202874D+01 -0.674674D+01  0.105125D+02  0.699697D+01
      5   0.399716D+01 -0.210136D+02 -0.161553D+02  0.514223D+01  0.161247D+02
      6   0.489704D+01  0.279455D+00  0.488300D+01 -0.196062D+01 -0.336510D+01
               166           167           168           169           170 
      1   0.453254D+01  0.130885D+01 -0.241570D+01 -0.167145D+02 -0.408586D+01
      2  -0.341137D+01  0.709379D+00  0.123190D+01  0.140582D+02  0.720049D+00
      3  -0.112117D+01 -0.201823D+01  0.118380D+01  0.265621D+01  0.336581D+01
      4   0.125293D+02 -0.103807D+02 -0.961325D+01  0.136162D+02 -0.152478D+02
      5   0.541672D+01 -0.953976D+01 -0.102353D+02  0.285687D+02 -0.193749D+02
      6  -0.362513D+01  0.665859D+01  0.957694D+01 -0.990304D+01  0.119670D+02
               171           172           173           174           175 
      1  -0.290968D+01  0.208699D+02 -0.101811D+02  0.648810D+01 -0.109980D+02
      2  -0.112134D+02 -0.434585D+01 -0.172770D+00 -0.176124D+01 -0.389877D+01
      3   0.141231D+02 -0.165240D+02  0.103538D+02 -0.472685D+01  0.148967D+02
      4  -0.226320D+02 -0.226989D+02  0.251541D+02 -0.592700D+01  0.332155D+02
      5  -0.488950D+02  0.942990D+01 -0.390766D+01  0.780149D+01 -0.552602D+01
      6   0.191970D+02 -0.310272D+01  0.670695D+00 -0.182475D+01  0.249241D+01
               176           177           178           179           180 
      1   0.412852D+01 -0.650170D+00  0.188089D+02 -0.529398D+00  0.260948D+01
      2   0.169880D+02 -0.429668D+01 -0.502971D+01 -0.676143D+01  0.280953D+00
      3  -0.211165D+02  0.494685D+01 -0.137792D+02  0.729083D+01 -0.289044D+01
      4  -0.455139D+02  0.123833D+02 -0.155050D+02  0.232991D+02 -0.143925D+02
      5   0.113321D+02 -0.896691D+01  0.110004D+02 -0.127216D+02  0.823387D+01
      6  -0.476789D+01  0.555902D+01 -0.478736D+01  0.649647D+01 -0.428881D+01
               181           182           183           184           185 
      1   0.146578D+03 -0.176564D+02 -0.165958D+02 -0.287268D+02  0.138855D+02
      2  -0.744970D+02  0.924030D+01  0.817615D+01  0.142581D+02 -0.530900D+01
      3  -0.720808D+02  0.841611D+01  0.841969D+01  0.144687D+02 -0.857648D+01
      4  -0.132404D+02  0.137840D+02  0.155989D+01  0.171925D+02 -0.886121D+01
      5  -0.190994D+02  0.223462D+01  0.165626D+02  0.236622D+01 -0.603604D+01
      6   0.623662D+00 -0.105760D+01  0.144011D+01 -0.132257D+01 -0.967577D-01
               186           187           188           189           190 
      1   0.293187D+01 -0.201328D+02  0.196453D+01  0.167318D+02 -0.451674D+02
      2  -0.209999D+01  0.113256D+02 -0.190796D+01 -0.101449D+02  0.223694D+02
      3  -0.831881D+00  0.880723D+01 -0.565715D-01 -0.658685D+01  0.227980D+02
      4  -0.559913D+01  0.337925D+00 -0.529280D+01 -0.101672D+00 -0.458408D+01
      5  -0.511691D+00  0.233788D+02 -0.369228D+00 -0.445932D+01 -0.108293D+02
      6   0.236327D+01  0.143486D+00  0.249455D+01  0.770046D+00  0.582559D+01
               191           192           193           194           195 
      1   0.977360D+01  0.132167D+02  0.911493D+01 -0.745022D+01 -0.537138D+01
      2  -0.553684D+01 -0.199433D+01 -0.449880D+01  0.467029D+01  0.366570D+01
      3  -0.423675D+01 -0.112224D+02 -0.461613D+01  0.277993D+01  0.170568D+01
      4  -0.287737D+01 -0.137082D+01  0.236077D+01  0.349236D+01  0.548043D+01
      5  -0.134535D+01 -0.761695D+01  0.809582D+00  0.469904D+01  0.241678D+00
      6  -0.529150D+01 -0.644354D+01 -0.196490D+01  0.425841D+01  0.508215D+01
               196           197           198           199           200 
      1   0.101165D+02 -0.306672D+01 -0.953022D+01  0.323471D+02  0.206351D+02
      2  -0.240577D+01  0.152591D+01  0.875529D+00 -0.138517D+02 -0.535435D+01
      3  -0.771075D+01  0.154081D+01  0.865469D+01 -0.184954D+02 -0.152807D+02
      4   0.691845D+00  0.358021D+01 -0.126056D+01  0.333464D+02  0.313411D+02
      5   0.166217D+01 -0.105911D+01  0.329423D+01  0.264350D+02  0.167289D+02
      6  -0.328217D+01  0.419548D+01  0.222141D+01  0.123826D+02  0.112683D+02
               201           202           203           204           205 
      1   0.129559D+02  0.244245D+02  0.151655D+02  0.581590D+01  0.689783D+01
      2  -0.906764D+01 -0.592965D+01  0.299103D+01 -0.268683D+01 -0.592844D+01
      3  -0.388828D+01 -0.184948D+02 -0.181566D+02 -0.312906D+01 -0.969393D+00
      4   0.134153D+02  0.400041D+02  0.487291D+02  0.235056D+02  0.970272D+01
      5   0.213003D+02  0.240138D+02  0.275021D+02  0.208788D+02  0.177398D+02
      6   0.772667D+01  0.153065D+02  0.208461D+02  0.146770D+02  0.716248D+01
               206           207           208           209           210 
      1   0.195175D+01  0.647318D+01  0.105071D+02 -0.639570D+01  0.123681D+02
      2  -0.177774D+01 -0.537382D+01 -0.914762D+01  0.577182D+01 -0.110018D+02
      3  -0.174017D+00 -0.109935D+01 -0.135948D+01  0.623875D+00 -0.136627D+01
      4   0.121224D+02  0.116148D+02 -0.696082D+01  0.123960D+02 -0.564476D+01
      5   0.121226D+02  0.140936D+02  0.172650D+02 -0.803763D+01  0.186614D+02
      6   0.102543D+02  0.737460D+01 -0.150839D+01  0.418351D+01 -0.160760D+01
               211           212           213           214           215 
      1  -0.113393D+02  0.638396D+01 -0.370072D+01  0.102999D+02 -0.139510D+01
      2   0.105280D+02 -0.900083D+01  0.143218D+02 -0.114367D+02  0.998556D+01
      3   0.811322D+00  0.261687D+01 -0.106211D+02  0.113686D+01 -0.859046D+01
      4   0.131239D+02 -0.264240D+02  0.215084D+02 -0.563722D+01  0.162298D+02
      5  -0.155246D+02  0.244743D+02 -0.326403D+02  0.194460D+02 -0.194794D+02
      6   0.512050D+01 -0.120050D+02  0.917502D+01 -0.227999D+01  0.926628D+01
               216           217           218           219           220 
      1   0.242578D+01  0.120019D+01  0.203762D+01 -0.863215D+01 -0.150776D+01
      2  -0.190446D+02 -0.283315D+01  0.552002D+00  0.698038D+01  0.292230D+01
      3   0.166188D+02  0.163296D+01 -0.258962D+01  0.165177D+01 -0.141453D+01
      4  -0.175999D+02  0.287051D+01  0.648152D+01 -0.265583D+01  0.424834D+01
      5   0.364780D+02 -0.107242D+02 -0.102632D+01  0.142235D+02  0.154481D+01
      6  -0.751663D+01 -0.258369D+01 -0.136506D+01  0.192933D+01 -0.814548D+00
               221           222           223           224           225 
      1   0.675783D+00  0.807711D-03 -0.861666D+01  0.171300D+01 -0.116732D+02
      2  -0.186680D+01 -0.518202D+01  0.892192D+01 -0.398741D+01 -0.253249D+02
      3   0.119102D+01  0.518121D+01 -0.305255D+00  0.227442D+01  0.369982D+02
      4  -0.408323D+00 -0.468829D+01 -0.505117D+01 -0.873603D+01  0.324821D+01
      5  -0.557788D+01 -0.112170D+02  0.173456D+02  0.240454D+01 -0.683367D+02
      6   0.989621D-01  0.297498D+01  0.448269D+01  0.715898D+01 -0.233532D+02
               226           227           228           229           230 
      1   0.258174D+02  0.196871D+02  0.156468D+01  0.179970D+02  0.102723D+02
      2  -0.675437D-02  0.514608D+01  0.245542D+00  0.829589D+01  0.269665D+02
      3  -0.258106D+02 -0.248332D+02 -0.181022D+01 -0.262929D+02 -0.372388D+02
      4   0.395836D+02  0.433561D+02 -0.177266D+01  0.462169D+02  0.675854D+02
      5  -0.410109D+01 -0.564608D+01  0.939018D+01 -0.554913D+01 -0.491372D+01
      6  -0.346781D+01 -0.498901D+01  0.531493D+01 -0.498657D+01 -0.850566D+01
               231           232           233           234           235 
      1  -0.261313D+00  0.642121D+01  0.166886D+01  0.349442D+01 -0.420992D+02
      2   0.903210D+00  0.522370D+00  0.516397D+01 -0.131490D+01  0.279898D+02
      3  -0.641897D+00 -0.694359D+01 -0.683283D+01 -0.217952D+01  0.141094D+02
      4  -0.156528D+01  0.783479D+01  0.130482D+02  0.723776D+01 -0.128253D+02
      5   0.677326D+01  0.738512D+01  0.574062D+01 -0.152678D+01  0.116028D+02
      6   0.612170D+01  0.423219D+01  0.460877D+01  0.257153D+00  0.141920D+00
               236           237           238           239           240 
      1   0.141464D+02  0.944293D+00  0.105990D+02 -0.103998D+02  0.393804D+00
      2  -0.139477D+02 -0.148167D+01 -0.834644D+01  0.124602D+02  0.141960D+00
      3  -0.198786D+00  0.537380D+00 -0.225252D+01 -0.206035D+01 -0.535764D+00
      4  -0.404715D+01  0.334872D+01  0.321165D+01  0.516145D+01  0.401937D+00
      5   0.605874D+00 -0.594301D+01 -0.164300D+01  0.211388D+01 -0.470382D+00
      6   0.362253D+01 -0.472100D+01  0.124673D+01 -0.164675D+01  0.975897D+00
               241           242           243           244           245 
      1   0.525387D+01 -0.242280D+01 -0.575713D+01  0.229923D+01  0.389921D+01
      2  -0.317581D+01  0.350207D+01  0.347975D+00 -0.385283D+01 -0.212860D+01
      3  -0.207806D+01 -0.107927D+01  0.540915D+01  0.155359D+01 -0.177061D+01
      4   0.165610D+01  0.378317D+01 -0.151069D+01  0.644231D+01  0.672342D+01
      5  -0.151667D+01 -0.205958D+00 -0.306378D+01 -0.107912D+02 -0.270688D+01
      6  -0.255626D+01  0.134267D+01 -0.606902D+00 -0.437804D+01 -0.572955D+00
               246           247           248           249           250 
      1  -0.591019D+01  0.430127D+01 -0.141888D+00  0.200226D+01 -0.769979D+01
      2   0.444650D+01 -0.191884D+01  0.109666D+01 -0.149903D+01  0.753592D+01
      3   0.146369D+01 -0.238242D+01 -0.954772D+00 -0.503228D+00  0.163875D+00
      4  -0.360869D+01  0.101067D+02  0.629712D+01 -0.725966D+01 -0.615435D+01
      5   0.120007D+02 -0.371658D+01 -0.739294D+01  0.106195D+02  0.160483D+02
      6   0.261824D+01 -0.215091D+01 -0.601421D+01  0.791146D+01  0.422536D+01
               251           252           253           254           255 
      1   0.207173D+01 -0.450601D+01 -0.853205D+02 -0.478303D+01  0.767864D+01
      2   0.957296D+00 -0.947394D+01  0.434417D+02  0.100308D+02 -0.553589D+01
      3  -0.302902D+01  0.139799D+02  0.418788D+02 -0.524776D+01 -0.214275D+01
      4  -0.105198D+02  0.106776D+02 -0.920659D+01  0.246454D+02  0.103811D+02
      5   0.939710D+01 -0.352510D+02  0.117289D+02  0.766838D+01  0.137648D+02
      6   0.744792D+01 -0.128366D+02  0.874248D+01  0.586787D+01  0.491893D+01
               256           257           258           259           260 
      1   0.181284D+02  0.341164D+02  0.319761D+01  0.303097D+02  0.399489D+01
      2  -0.617434D+01 -0.387395D+02 -0.727795D+01 -0.131163D+02 -0.347558D+01
      3  -0.119541D+02  0.462308D+01  0.408034D+01 -0.171935D+02 -0.519303D+00
      4   0.274740D+02 -0.296487D+02  0.453023D+01  0.223931D+02  0.146561D+02
      5   0.129654D+02  0.713927D+01  0.174889D+02  0.207463D+02  0.189334D+02
      6   0.638654D+01 -0.428540D+01  0.574468D+01  0.884041D+01  0.785687D+01
               261           262           263           264           265 
      1   0.152864D+02  0.702227D+01 -0.892873D+01  0.282855D+01 -0.672589D+01
      2   0.569508D+01  0.209042D+01 -0.102234D+01 -0.124932D+00 -0.962975D+01
      3  -0.209815D+02 -0.911269D+01  0.995107D+01 -0.270362D+01  0.163556D+02
      4   0.221029D+02 -0.153043D+02  0.187399D+02 -0.451050D+01  0.311175D+02
      5  -0.192318D+02  0.559945D+01 -0.468231D+01  0.382345D+01 -0.891600D+01
      6  -0.324858D+01 -0.361379D+01  0.332281D+01 -0.162509D+01  0.685945D+01
               266           267           268           269           270 
      1  -0.558599D+01  0.568733D+00  0.319638D+00  0.108990D+01 -0.740567D+00
      2   0.364472D+02 -0.642951D+01 -0.213805D+01  0.369594D+01  0.157621D+01
      3  -0.308612D+02  0.586077D+01  0.181841D+01 -0.478585D+01 -0.835645D+00
      4  -0.654004D+02  0.143740D+02  0.187321D+01 -0.367065D+01 -0.457056D+01
      5   0.155604D+02 -0.117371D+02  0.340999D+01 -0.468808D+01  0.541325D+01
      6  -0.157073D+02  0.864809D+01 -0.200513D+01  0.504652D+01 -0.358299D+01
               271           272           273           274           275 
      1   0.598936D+01 -0.443865D+00  0.563463D+01 -0.741296D+01 -0.585831D+01
      2  -0.591265D+01 -0.855182D+00 -0.216358D+01  0.384188D+01  0.289604D+01
      3  -0.767054D-01  0.129905D+01 -0.347106D+01  0.357107D+01  0.296226D+01
      4  -0.146217D+01 -0.340645D+01 -0.287517D+00 -0.283510D+01 -0.255977D+01
      5   0.325635D+01 -0.168926D+01  0.152540D+00 -0.450253D+01  0.375381D+01
      6  -0.382454D+00 -0.157520D+01 -0.121206D+01 -0.710779D+00 -0.211055D+00
               276           277           278           279           280 
      1  -0.561083D+00  0.998917D+01 -0.229174D-01 -0.116060D+02  0.131890D+03
      2   0.502725D+01 -0.688317D+01  0.426496D+01 -0.155841D+02 -0.628809D+02
      3  -0.446617D+01 -0.310600D+01 -0.424205D+01  0.271901D+02 -0.690093D+02
      4   0.407393D+01  0.449408D+01  0.868397D+01 -0.326562D+01  0.408868D+02
      5  -0.952519D+01  0.101607D+02 -0.234719D+01  0.430761D+02  0.100719D+02
      6   0.123955D+01  0.166258D+01  0.367161D+01  0.123776D+02 -0.338348D+00
               281           282           283           284           285 
      1   0.934242D+01 -0.127308D+01 -0.787451D+01  0.745605D+01 -0.302672D+00
      2  -0.120059D+01 -0.195895D+00  0.666959D+01 -0.471944D+00  0.676124D+00
      3  -0.814183D+01  0.146897D+01  0.120492D+01 -0.698411D+01 -0.373452D+00
      4   0.170173D+02  0.982574D+00  0.127387D+02  0.587139D+01 -0.117149D+01
      5   0.153359D+01  0.125890D+02 -0.164010D+01 -0.769267D+00 -0.247951D+01
      6   0.169612D+01  0.338595D+01  0.433345D+00  0.431164D+00  0.106906D+00
               286           287           288           289           290 
      1  -0.172768D+02 -0.177519D+01  0.913062D+01  0.204239D+01  0.130509D+02
      2   0.698071D+01 -0.463202D-01 -0.675136D+01  0.194698D+01 -0.129837D+02
      3   0.102961D+02  0.182151D+01 -0.237926D+01 -0.398937D+01 -0.671964D-01
      4  -0.749797D+01 -0.477122D+01  0.112400D+01  0.440990D+01 -0.579542D+01
      5   0.124324D+02 -0.710891D+00 -0.471871D+00 -0.175963D+01 -0.626964D+00
      6   0.308827D+01  0.497882D+00 -0.562858D+00 -0.130148D+00 -0.271470D+01
               291           292           293           294           295 
      1   0.159638D+00  0.104089D+02 -0.309621D+02 -0.279547D+01 -0.428847D+01
      2  -0.278334D+00 -0.279080D+01  0.535317D+02  0.308432D+01  0.983334D+00
      3   0.118696D+00 -0.761806D+01 -0.225696D+02 -0.288849D+00  0.330514D+01
      4  -0.215182D+01  0.121287D+02  0.607806D+02  0.641546D+01 -0.343360D+01
      5  -0.251436D+01  0.287659D+01  0.396672D+01  0.689572D+01 -0.113840D+00
      6  -0.215822D+01  0.748715D+00  0.116768D+02  0.743937D+01 -0.150641D+00
               296           297 
      1  -0.129317D+01 -0.571753D+01
      2  -0.138652D+01  0.424433D+01
      3   0.267969D+01  0.147320D+01
      4  -0.448113D+01  0.393719D+01
      5   0.477799D+01  0.222401D+01
      6   0.692879D+01  0.148895D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.757998D+00      0.192664D+01      0.642657D+01
   x          0.339578D+00      0.863121D+00      0.287906D+01
   y         -0.287273D+00     -0.730175D+00     -0.243560D+01
   z         -0.613777D+00     -0.156006D+01     -0.520381D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158384D+03      0.234701D+02      0.261140D+02
   aniso      0.633642D+02      0.938960D+01      0.104473D+02
   xx         0.198599D+03      0.294294D+02      0.327446D+02
   yx        -0.102312D+01     -0.151610D+00     -0.168689D+00
   yy         0.129438D+03      0.191808D+02      0.213415D+02
   zx        -0.560188D+00     -0.830113D-01     -0.923625D-01
   zy        -0.677632D+01     -0.100415D+01     -0.111726D+01
   zz         0.147115D+03      0.218002D+02      0.242560D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.169031D+03      0.250478D+02      0.278694D+02
   aniso      0.704342D+02      0.104373D+02      0.116130D+02
   xx         0.214003D+03      0.317120D+02      0.352843D+02
   yx        -0.181353D+01     -0.268738D+00     -0.299011D+00
   yy         0.137306D+03      0.203467D+02      0.226387D+02
   zx        -0.792954D+00     -0.117504D+00     -0.130740D+00
   zy        -0.689302D+01     -0.102144D+01     -0.113651D+01
   zz         0.155783D+03      0.230847D+02      0.256852D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.28760434          2.59832437          0.22003044
     6          2.32589666          1.02981360          2.33546913
     6          0.15220063          2.78471432         -1.29390047
     6         -2.02627646          1.42109783         -0.73256865
     6         -2.00620346         -0.14115640          1.38928449
     6          0.13274060         -0.32507274          2.89328617
     6          4.66390755          0.76991602          3.93661390
     6          6.50351923         -1.34720087          3.10764077
     6          7.58604220         -0.88772567          0.47032298
     6          5.30942210         -3.97021009          3.28812522
     6         -4.34614380          1.67163823         -2.40637590
     6         -4.74517648         -0.76268360         -3.87141974
     8         -4.10025025         -1.10992945         -6.02315397
     8         -5.90052059         -2.57841186         -2.48352844
     1          3.95052802          3.69437260         -0.25093480
     1          0.17690336          4.01254203         -2.93151482
     1         -3.66687951         -1.23369200          1.86527738
     1          0.09818141         -1.54287017          4.53797168
     1          4.10906574          0.41242613          5.89389610
     1          5.69473309          2.55975554          3.92707375
     1          8.07460579         -1.27704677          4.45407549
     1          6.10900048         -0.97633875         -0.96693703
     1          8.99978794         -2.31685426          0.00633977
     1          8.48995435          0.96325697          0.33693319
     1          4.57495100         -4.33742109          5.18202266
     1          6.69901103         -5.43201851          2.85389788
     1          3.74934185         -4.17095621          1.95347297
     1         -3.92223151          3.07486282         -3.85198237
     6         -6.70977565          2.49348876         -0.94683459
     1         -6.00720084         -4.06751156         -3.54672920
     1         -7.20436234          1.13142946          0.51243645
     1         -8.32499589          2.68994272         -2.21354289
     1         -6.36078557          4.31319840         -0.04633557

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.757998D+00      0.192664D+01      0.642657D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.757998D+00      0.192664D+01      0.642657D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158384D+03      0.234701D+02      0.261140D+02
   aniso      0.633642D+02      0.938960D+01      0.104473D+02
   xx         0.186471D+03      0.276322D+02      0.307450D+02
   yx         0.467470D+00      0.692719D-01      0.770754D-01
   yy         0.137178D+03      0.203276D+02      0.226175D+02
   zx         0.233931D+02      0.346650D+01      0.385700D+01
   zy        -0.121619D+02     -0.180221D+01     -0.200522D+01
   zz         0.151504D+03      0.224506D+02      0.249796D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.169031D+03      0.250478D+02      0.278694D+02
   aniso      0.704342D+02      0.104373D+02      0.116130D+02
   xx         0.200130D+03      0.296562D+02      0.329969D+02
   yx         0.604011D+00      0.895052D-01      0.995879D-01
   yy         0.145188D+03      0.215147D+02      0.239383D+02
   zx         0.264871D+02      0.392498D+01      0.436713D+01
   zy        -0.125537D+02     -0.186027D+01     -0.206982D+01
   zz         0.161774D+03      0.239725D+02      0.266730D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-33\Freq\RB3LYP\Gen\C13H18O2\PIERPA\08-Sep-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,0.999465,-1.196404,0.969136\C,1.596854,-0.854615,-0.24280
 5\C,-0.373383,-1.089601,1.14899\C,-1.197567,-0.646006,0.11854\C,-0.607
 54,-0.309456,-1.099214\C,0.764497,-0.415297,-1.273478\C,3.089352,-0.93
 3039,-0.42674\C,3.863458,0.355956,-0.060011\C,3.724742,0.714773,1.4188
 41\C,3.474654,1.53835,-0.94648\C,-2.69829,-0.54755,0.336035\C,-3.11249
 2,0.912406,0.380989\O,-3.301927,1.54513,1.386242\O,-3.236904,1.461286,
 -0.851756\H,1.615792,-1.553364,1.784982\H,-0.810943,-1.358118,2.102796
 \H,-1.221792,0.044896,-1.915977\H,1.198598,-0.153574,-2.230639\H,3.310
 06,-1.178961,-1.468652\H,3.483227,-1.75192,0.18068\H,4.918355,0.129746
 ,-0.250425\H,2.693477,0.97286,1.666766\H,4.350853,1.574253,1.666193\H,
 4.026509,-0.115358,2.061505\H,3.596304,1.300958,-2.005766\H,4.098076,2
 .406584,-0.724159\H,2.434212,1.826365,-0.784696\H,-2.911214,-0.920205,
 1.337383\C,-3.505151,-1.357997,-0.684885\H,-3.465219,2.394674,-0.72011
 5\H,-3.324283,-1.011646,-1.700587\H,-4.575148,-1.279853,-0.485627\H,-3
 .217816,-2.407791,-0.623061\\Version=ES64L-G16RevA.03\State=1-A\HF=-65
 7.021968\RMSD=3.873e-09\RMSF=1.294e-05\ZeroPoint=0.2846317\Thermal=0.3
 001377\Dipole=0.3395778,-0.2872728,-0.6137765\DipoleDeriv=-0.1169159,-
 0.0401297,0.0652972,-0.0456209,-0.088778,-0.0417428,0.1145143,-0.05361
 64,0.0270118,0.3048065,0.0515361,-0.0195041,0.0171309,-0.1083717,-0.01
 75288,-0.0401937,-0.0188526,-0.0665491,-0.0703314,0.0170497,-0.0491132
 ,0.0102941,-0.0927502,-0.0461573,-0.0196545,-0.0701305,0.0637504,0.286
 1031,-0.126781,-0.0125423,-0.0193181,-0.1387129,-0.018403,-0.0468732,0
 .0050898,-0.067066,-0.0807332,-0.0103113,0.0399794,-0.0292296,-0.09179
 43,-0.0517918,0.0624868,-0.0412567,-0.0026506,-0.1197872,-0.0050375,-0
 .0485981,0.0147504,-0.0927252,-0.0625828,-0.0890276,-0.0472296,0.06668
 68,0.073163,-0.0239512,-0.0034046,-0.1796134,0.088714,0.0079159,-0.059
 9041,-0.0053179,0.1157292,0.1425553,0.0123728,0.0066005,0.1683729,0.15
 74701,-0.0156499,0.0610414,-0.0028901,0.155541,0.0708026,-0.0058161,0.
 0080797,-0.0546281,0.0505422,-0.0359725,0.017935,-0.0328348,-0.0228906
 ,0.0617738,0.0128918,-0.0166091,-0.018205,-0.0122637,0.0475616,-0.0552
 07,0.038368,0.04968,0.0055895,0.1557592,0.0335995,0.1301325,-0.0344859
 ,-0.0195826,-0.0629555,-0.0150343,0.0964056,0.3563578,-0.3499377,-0.07
 89874,-0.7198194,1.191646,0.1047399,-0.0889854,0.0033325,1.560304,-0.4
 100657,0.1495028,0.1411528,0.3536623,-0.7911713,-0.3853155,0.1849572,-
 0.1753798,-0.945654,-0.4139287,0.0931571,-0.1085562,0.207442,-0.561593
 4,0.3823935,-0.1357887,0.2622892,-0.9704169,-0.0114835,0.0553421,-0.07
 54532,0.051568,0.0986885,0.0473247,-0.0764135,0.0449231,-0.0105919,0.0
 208469,-0.0238618,0.0759965,-0.0080195,0.097866,0.0421425,0.0725245,0.
 0494043,-0.0363259,0.0324723,0.0184279,-0.064671,0.0394355,0.1019447,0
 .0446931,-0.0774464,0.0425231,0.0081291,0.0209217,-0.0002873,0.0784322
 ,-0.0039364,0.097976,0.0483749,0.0851233,0.0489711,-0.045965,-0.034376
 7,-0.0084968,-0.0009168,0.0030193,0.0390792,-0.0351635,0.0680619,-0.07
 75039,-0.1390668,-0.0494892,0.0186086,-0.0060713,0.0611027,-0.0803532,
 0.0691553,-0.0535221,0.1164598,-0.0050046,-0.2371939,0.0384935,0.03709
 61,-0.0091971,-0.0117485,-0.0054485,0.0221088,-0.0093851,-0.0023159,-0
 .0992953,0.0552428,0.057426,0.0807355,0.0571394,0.0080986,0.02329,0.00
 59871,0.0209646,-0.0357355,-0.1092952,-0.0520876,-0.130832,-0.0820072,
 -0.0747503,-0.0218952,-0.0332118,0.0328109,0.0616205,0.0366028,-0.0204
 558,0.0630536,-0.0747925,0.1216988,-0.0170825,0.0723667,-0.0531463,0.0
 678853,0.0167366,-0.0001217,0.0300853,0.0309977,-0.0615083,0.0099369,-
 0.0089897,-0.1660828,-0.0345325,-0.1237041,-0.0118951,-0.1146657,-0.10
 5586,-0.0038,-0.0447135,-0.0449398,0.0548201,-0.102602,0.0716784,0.012
 0286,0.0703096,0.0581257,0.0035044,0.0551306,0.005975,0.0195329,0.0234
 255,-0.0055873,-0.021592,-0.0159829,0.0054302,0.0143989,0.0299076,0.02
 46619,-0.0783964,0.0281892,0.0131663,-0.0256583,0.046188,0.0671225,-0.
 0334991,0.0300515,0.0149632,0.0424551,0.3294347,0.0034341,0.0193335,-0
 .0026467,0.2419064,-0.0564022,0.0432471,-0.0975538,0.2644737,0.065822,
 -0.0296631,0.0502513,-0.0243521,0.0410519,0.0605241,0.0063558,0.016502
 8,-0.0668098,-0.2032003,-0.0173202,0.0069434,0.0046235,0.0645496,-0.01
 95844,0.0160714,-0.0196496,0.0513017,0.067901,0.060178,-0.0159788,0.02
 41606,-0.1231162,-0.0176428,-0.0130814,0.001959,0.0493358\Polar=198.59
 94157,-1.0231156,129.4381911,-0.5601879,-6.776323,147.1153357\Quadrupo
 le=2.2912191,-0.3013947,-1.9898244,0.9859799,4.0242398,-4.8351674\PG=C
 01 [X(C13H18O2)]\NImag=0\\0.69024797,-0.07048579,0.20362126,0.01277339
 ,-0.17578649,0.64052171,-0.15850717,-0.02441830,0.10095458,0.63379006,
 -0.00332365,-0.08697369,0.05611148,-0.04140078,0.23514686,0.03963609,0
 .06406005,-0.26422085,-0.01353414,-0.14443274,0.61405182,-0.32902407,0
 .03308602,-0.00278032,-0.01743651,-0.02355616,0.07924524,0.67616077,0.
 01308797,-0.06933957,0.02194252,-0.00933152,0.01198016,-0.01275572,-0.
 04950476,0.19664697,0.05962170,0.01472931,-0.12549106,0.03422369,-0.00
 709225,0.01761504,-0.04860031,-0.17242688,0.66121785,-0.03841134,0.012
 34158,-0.01933529,0.00305136,0.00134334,-0.00652817,-0.18744479,0.0529
 6861,-0.11471783,0.61181948,0.02780060,0.00663472,-0.00944172,0.000889
 05,-0.01333981,0.01995694,0.03124339,-0.09271598,0.06757318,-0.0512251
 2,0.22967035,-0.06558938,-0.00392849,0.04246765,-0.00738295,0.02009888
 ,-0.06366911,-0.05041949,0.06068405,-0.22782525,-0.00829261,-0.1454592
 5,0.61802992,-0.04423263,-0.00512514,0.03012433,-0.03840575,0.02708088
 ,-0.06430753,0.06017597,-0.00857902,0.00842375,-0.15443542,-0.00272363
 ,0.03735035,0.69255220,-0.00611087,-0.00675785,0.00211426,0.01159842,0
 .00739699,-0.00459722,0.00571135,0.00370227,0.02009578,-0.02200339,-0.
 08627087,0.06093723,-0.07317674,0.20300893,0.03152936,0.00176766,-0.02
 423458,-0.02031295,-0.01070541,0.04370147,-0.03500262,0.02558411,-0.05
 258823,0.09609407,0.05410186,-0.26442264,0.01584241,-0.17257657,0.6433
 8862,0.06071907,0.00441021,-0.03425317,-0.18862510,0.02900641,-0.04785
 996,-0.05567561,0.01306393,-0.02185443,-0.01912340,-0.02337311,0.08023
 091,-0.33383077,0.03396713,-0.00292335,0.67967544,-0.00936787,0.003039
 65,0.02562644,0.04922792,-0.09194763,0.05605247,0.01331217,-0.01026911
 ,0.00383461,-0.00779421,0.01282193,-0.01340938,0.01231705,-0.06923822,
 0.02231035,-0.04654689,0.19548984,0.00716788,0.01987354,-0.05232220,-0
 .10943597,0.06384897,-0.22476014,-0.02071694,0.00370483,-0.01041381,0.
 03414383,-0.00724196,0.01682097,0.05923011,0.01461111,-0.12513130,-0.0
 4987924,-0.16625083,0.65922130,-0.01836506,0.00099508,0.00980516,-0.19
 427495,0.00931192,0.01401684,0.00313050,0.00093630,0.00074966,-0.00136
 073,0.00017690,0.00011873,0.00240453,0.00148191,-0.00140688,-0.0253128
 9,0.00553879,-0.00213822,0.47146861,-0.00722996,0.00476617,0.00150651,
 0.01971491,-0.07681090,0.00318390,0.00067569,0.00572897,0.00303134,-0.
 00063945,-0.00115489,0.00031265,0.00245267,0.00569527,0.00362645,0.011
 53424,0.00442389,-0.00145619,-0.05780227,0.47256122,0.03047061,-0.0006
 8680,-0.00009342,0.01757436,0.00423723,-0.09222643,0.00230265,0.004345
 69,-0.00338753,-0.00017191,0.00011667,-0.00144532,-0.00276666,0.002486
 85,-0.00297770,-0.02351330,0.00043922,0.00716518,-0.00577921,-0.040822
 20,0.59404834,0.00019739,0.00069026,-0.00154977,-0.02491985,-0.0266080
 4,-0.00669726,-0.00044112,0.00123066,0.00046741,0.00022705,-0.00024538
 ,-0.00005728,-0.00042382,0.00127150,0.00043841,0.00033537,-0.00022379,
 0.00160980,-0.09316525,-0.03380053,-0.00989621,0.56408470,0.00192909,-
 0.00058655,-0.00181224,-0.01295420,0.00661342,0.00388666,-0.00040154,-
 0.00037513,-0.00025838,0.00056395,0.00012619,-0.00017441,-0.00046778,-
 0.00080341,0.00012210,0.00280674,-0.00200399,0.00049172,-0.02178689,-0
 .12606241,-0.01539104,-0.03884136,0.45963441,0.00169578,-0.00107465,-0
 .00108037,-0.00195681,0.00531691,0.00142909,-0.00037057,-0.00070714,-0
 .00053317,0.00019824,-0.00004623,0.00025482,0.00010630,0.00018221,-0.0
 0009838,-0.00013949,0.00026823,0.00022578,-0.00569999,-0.01415895,-0.0
 7983055,-0.02376939,0.00157737,0.47065750,-0.00030347,-0.00082429,0.00
 004859,0.00096645,-0.00012708,-0.00132033,0.00004099,0.00017881,-0.000
 06404,-0.00019317,0.00008341,-0.00000155,0.00001079,0.00000342,0.00001
 245,-0.00025664,0.00025433,-0.00014609,0.00187338,-0.00519012,-0.01807
 253,-0.08196431,0.00297715,0.01253503,0.56478811,-0.00095966,-0.000720
 04,-0.00054994,0.00101162,-0.00003637,-0.00034436,0.00019938,-0.000352
 81,-0.00001478,0.00005478,0.00009783,-0.00000347,-0.00007765,0.0001119
 1,-0.00007990,-0.00007095,0.00001293,0.00031655,0.00063640,-0.01027955
 ,-0.02895674,0.00396521,-0.08297112,-0.02359751,0.00371887,0.56536489,
 0.00009003,-0.00028071,0.00032235,-0.00028581,-0.00008873,0.00024919,-
 0.00015897,0.00000878,-0.00023657,0.00011007,-0.00001369,0.00015206,0.
 00010496,-0.00000316,-0.00012949,0.00013252,-0.00002780,-0.00005535,-0
 .00303626,-0.00806584,-0.01127962,0.01294155,-0.02244516,-0.17262271,0
 .00964282,-0.02710210,0.46828534,-0.00024128,0.00011454,0.00029114,0.0
 0129801,-0.00085620,0.00078284,-0.00002009,0.00002906,-0.00001425,-0.0
 0018483,0.00004488,0.00012200,0.00008868,0.00012569,0.00009739,-0.0004
 1154,-0.00069027,-0.00039719,0.00541221,-0.01395164,0.01035264,-0.0887
 2421,0.02240641,-0.01647415,0.00117527,-0.00256462,0.00104388,0.558781
 08,-0.00002866,0.00012629,-0.00015003,0.00069024,-0.00013285,-0.000026
 87,0.00003305,-0.00001968,0.00016329,0.00008605,0.00012696,-0.00005540
 ,0.00007536,-0.00030510,-0.00004627,-0.00073589,-0.00082196,-0.0001917
 1,0.00371180,-0.02953236,0.01567696,0.02359010,-0.13773460,0.04533885,
 -0.00152158,0.00554789,0.00085958,0.02273336,0.50341587,-0.00014604,0.
 00014270,-0.00019353,0.00068400,0.00000764,0.00004220,-0.00012955,0.00
 008345,0.00003060,0.00001201,-0.00002885,0.00014732,0.00018706,-0.0000
 7896,-0.00034784,-0.00049642,-0.00047201,0.00052547,0.00345900,-0.0027
 6595,0.00450280,-0.01609587,0.04441557,-0.11096749,-0.01002182,0.02746
 358,-0.02905939,-0.01403688,0.04988300,0.53566232,0.00105492,0.0004915
 9,-0.00216548,-0.00104332,0.00026554,-0.00060249,-0.02826813,0.0043144
 4,0.00042221,-0.17231165,0.01616522,0.01305345,-0.01841892,-0.00026770
 ,0.00900867,0.00318570,-0.00123255,0.00115739,0.00014465,0.00012392,0.
 00007701,-0.00001645,-0.00003547,-0.00001314,-0.00002728,0.00000352,0.
 00000087,-0.00003520,0.00001075,0.00000867,0.43411441,0.00109911,0.006
 15490,0.00429970,0.00045000,-0.00117926,-0.00000127,0.01318221,0.00314
 939,-0.00104839,-0.00056787,-0.07070236,0.00905123,-0.00640658,0.00255
 606,-0.00086783,-0.00056525,0.00536864,0.00295191,-0.00049336,-0.00074
 238,-0.00030101,-0.00007113,0.00002808,0.00003422,0.00000259,0.0000277
 0,-0.00000649,0.00000083,0.00000519,0.00002988,0.00719124,0.46057874,-
 0.00191213,0.00388625,-0.00187361,-0.00042162,0.00014455,-0.00103141,-
 0.02138332,0.00166456,0.00654110,0.02075646,0.00608476,-0.08789726,0.0
 2942219,-0.00299785,0.00075639,0.00129243,0.00299018,-0.00498336,-0.00
 009089,-0.00048431,-0.00011265,-0.00006592,0.00017829,0.00007729,-0.00
 000822,-0.00002910,0.00000151,-0.00000315,0.00000142,-0.00004700,-0.02
 463581,-0.05404127,0.59591023,-0.00011863,-0.00114571,-0.00103583,-0.0
 0013654,0.00003124,0.00049289,-0.00283080,0.00004047,0.00111081,-0.020
 04208,0.03402862,-0.00088206,0.00060453,-0.00040758,0.00026491,-0.0007
 4314,-0.00066043,-0.00078494,0.00000210,0.00012459,0.00008917,-0.00001
 819,-0.00009319,-0.00003935,-0.00002504,0.00005135,0.00001805,-0.00002
 858,0.00005675,0.00002094,-0.08735644,0.02155223,-0.00103308,0.2684814
 6,-0.00063689,-0.00070210,-0.00056800,-0.00028517,0.00052680,-0.000084
 33,-0.00468797,-0.00003477,0.00163371,0.02419381,0.00104986,-0.0047888
 3,-0.00435857,0.00063755,-0.00058859,-0.00010405,-0.00103885,0.0006050
 2,0.00026185,-0.00040956,-0.00009361,0.00007672,0.00067261,0.00017992,
 -0.00011183,-0.00022138,0.00004265,-0.00018358,-0.00015657,-0.00012004
 ,0.01041385,-0.16223220,0.00760354,-0.12199555,0.68125815,-0.00108385,
 -0.00026533,-0.00045471,-0.00009732,-0.00001775,-0.00043504,-0.0008224
 9,-0.00032168,0.00005121,0.00194224,-0.00665709,-0.00214054,0.00175239
 ,-0.00035080,0.00264237,0.00066073,0.00117649,-0.00100417,0.00000673,0
 .00012793,-0.00013098,0.00007108,-0.00000167,0.00012913,-0.00014920,-0
 .00001297,-0.00002220,0.00003004,-0.00000651,-0.00005229,-0.00163702,0
 .00727551,-0.07546711,-0.06058976,0.19116200,0.80845344,0.00014035,0.0
 0012436,0.00019739,0.00005641,-0.00003810,-0.00001867,0.00033096,0.000
 01541,-0.00015198,0.00190608,-0.00295099,-0.00023516,0.00009672,0.0001
 6714,-0.00020888,0.00006114,0.00011971,0.00005152,0.00003191,-0.000076
 92,-0.00002224,-0.00000929,0.00005272,0.00001414,0.00005519,-0.0000289
 1,-0.00000783,0.00004327,-0.00002357,-0.00001670,0.01925261,0.01289412
 ,0.01350559,-0.09691710,0.06456489,0.08045617,0.05312416,0.00058336,0.
 00047509,0.00008225,0.00007441,-0.00025613,0.00009995,0.00121423,0.000
 13768,-0.00076263,-0.00561545,-0.00447414,-0.00016771,0.00163177,0.000
 04981,0.00005512,0.00014349,0.00044906,0.00008797,-0.00012574,0.000200
 91,0.00008695,-0.00005605,-0.00035845,-0.00012458,0.00008895,0.0001157
 6,-0.00001990,0.00009118,0.00008260,0.00007252,0.01469437,-0.02190649,
 -0.03846789,0.06615653,-0.30365924,-0.27108199,-0.07666456,0.29268784,
 0.00087176,0.00028281,0.00020464,0.00008024,-0.00020059,0.00035364,0.0
 0062301,0.00023354,-0.00082742,-0.00335759,-0.00123688,0.00160426,0.00
 037502,-0.00009283,-0.00126215,-0.00034259,-0.00013294,0.00056852,-0.0
 0004342,0.00004810,0.00011622,-0.00004325,-0.00014585,-0.00011991,0.00
 009533,0.00004956,0.00000144,0.00001051,0.00002963,0.00005629,0.008071
 21,-0.01423866,-0.00764852,0.08451261,-0.28347865,-0.52181646,-0.09793
 233,0.32042830,0.63518487,-0.00035726,0.00004066,0.00017321,-0.0000272
 4,0.00002913,-0.00038314,0.00048104,-0.00003442,0.00007055,0.00049468,
 -0.00098503,0.00038926,-0.00114749,0.00130067,0.00093666,0.00056872,0.
 00030747,-0.00014754,0.00005687,-0.00008450,-0.00008212,-0.00000984,0.
 00006227,0.00004545,0.00002368,-0.00003320,-0.00000539,0.00005703,-0.0
 0003172,-0.00003741,0.00752412,0.00794345,-0.01046001,-0.06942969,0.02
 220590,-0.01377277,0.03005813,-0.00243678,0.00511418,0.07472088,0.0000
 6943,0.00033943,-0.00002465,0.00009890,-0.00007535,-0.00010092,0.00137
 512,-0.00013001,-0.00043116,-0.00330919,-0.00116606,0.00135830,0.00143
 372,-0.00037585,0.00056234,0.00042324,0.00010388,-0.00000200,-0.000078
 06,0.00016119,0.00000308,-0.00002827,-0.00026163,-0.00001749,0.0000069
 4,0.00008981,-0.00001780,0.00008782,0.00007151,0.00002407,0.00662648,-
 0.02029833,0.03658643,0.02234867,-0.15383619,0.06428300,-0.00172750,0.
 03801760,-0.01004549,-0.13599866,0.59116121,0.00029583,-0.00022007,0.0
 0008201,0.00010485,0.00006562,0.00021481,-0.00081306,0.00039003,0.0004
 3233,0.00300260,0.00140550,-0.00058743,-0.00047350,-0.00005544,-0.0017
 9033,-0.00055625,-0.00065960,0.00050104,0.00003338,-0.00008212,0.00008
 766,0.00000541,0.00014174,-0.00004482,0.00006612,-0.00004800,0.0000167
 6,-0.00004170,-0.00004149,0.00000133,-0.00358815,0.00793209,-0.0050241
 6,-0.00838435,0.03973657,-0.20562854,0.00270989,0.00046202,-0.11270445
 ,-0.00454586,-0.00128817,0.37877769,-0.14678008,0.05409924,-0.11619616
 ,0.00979295,-0.00409090,0.00997705,-0.01395672,0.01057784,-0.02565483,
 -0.00476698,0.00068656,0.00244173,-0.00055462,-0.00025556,0.00080940,-
 0.00016876,-0.00032811,0.00311896,0.00087997,-0.00105248,0.00042535,-0
 .00001840,-0.00001321,0.00010102,-0.00004778,-0.00049217,0.00008087,-0
 .00001302,0.00001018,-0.00000272,-0.00048966,0.00066228,-0.00108532,-0
 .00011331,-0.00068244,-0.00005620,0.00000020,0.00028408,0.00017356,-0.
 00001124,0.00017248,-0.00010093,0.15513063,0.05331880,-0.06833038,0.07
 485511,0.00615403,0.00085339,0.00575241,0.00059464,0.00166399,0.001843
 46,0.00101733,0.00673862,0.00154321,-0.00030031,-0.00046654,-0.0003096
 9,-0.00063582,0.00536275,0.00265481,-0.00074740,-0.00306280,-0.0021923
 2,-0.00057488,0.00040687,0.00079739,-0.00001171,0.00002926,0.00008386,
 -0.00002130,-0.00005879,-0.00014389,-0.00008874,0.00008692,0.00015741,
 0.00000954,0.00009019,0.00010716,0.00000782,-0.00006989,-0.00003016,-0
 .00001306,0.00000112,-0.00005294,-0.05870694,0.06147108,-0.11560967,0.
 07510730,-0.21202024,-0.01749248,0.00944661,-0.01744387,0.00372734,-0.
 00187350,0.00627492,0.00161054,0.00158718,0.00220179,0.00093015,-0.000
 26678,-0.00014106,0.00376888,0.00282866,-0.00321287,-0.00214295,-0.000
 65545,0.00031060,0.00019441,0.00008958,0.00004836,-0.00012192,-0.00025
 854,-0.00024016,-0.00012688,-0.00000233,-0.00003435,0.00021809,-0.0000
 4029,0.00013432,0.00004199,-0.00008404,-0.00001498,-0.00002268,0.00006
 045,0.00003184,-0.00003551,0.00004607,-0.00001256,0.12556215,-0.083577
 65,0.22378757,-0.00833652,-0.00850139,0.02912498,-0.00534861,0.0015509
 0,-0.00031384,-0.10242365,-0.02511531,0.09809341,0.00887243,0.00461919
 ,-0.01556772,-0.00143725,0.00186670,-0.00288932,-0.00092485,0.00025907
 ,-0.00063781,0.00011128,-0.00037354,0.00129499,-0.00006687,0.00016834,
 0.00009012,-0.00002098,-0.00004656,0.00001612,-0.00001035,-0.00000952,
 -0.00003751,0.00144962,-0.00002067,-0.00206731,-0.00001216,0.00044034,
 -0.00017332,-0.00002470,-0.00023678,0.00001080,0.00000439,-0.00017920,
 0.00016699,0.00096445,-0.00041525,-0.00056017,0.10749077,0.00102352,0.
 00298864,-0.00248045,0.00150793,0.00682803,0.00146922,-0.02423655,-0.0
 5485356,0.06687068,-0.00517403,0.00118358,0.00908066,0.00214320,0.0044
 4914,0.00283687,0.00040979,-0.00048677,-0.00019659,-0.00011759,0.00017
 113,-0.00008563,0.00001723,0.00004361,0.00004018,-0.00009119,0.0000078
 7,0.00001548,0.00000221,-0.00003670,0.00000508,-0.00058956,-0.00369071
 ,-0.00133143,0.00053455,0.00057034,0.00100243,-0.00019772,-0.00034825,
 -0.00063527,0.00001085,-0.00010709,-0.00024696,-0.00061778,-0.00326862
 ,-0.00136782,0.02591667,0.04679866,-0.00005933,0.00082313,-0.00025557,
 0.00065028,0.00153685,0.00254311,0.09700186,0.06704791,-0.26860269,0.0
 1155106,0.00595163,-0.01792965,-0.00381336,0.00291012,-0.00154383,-0.0
 0069421,-0.00020243,0.00037738,-0.00026350,0.00011998,-0.00014187,0.00
 000483,-0.00006080,-0.00002831,0.00000392,0.00001567,0.00000030,0.0000
 0667,0.00000022,0.00001662,0.00199847,-0.00147792,-0.00023862,0.000096
 16,0.00024810,-0.00008632,0.00007667,-0.00008371,0.00017791,-0.0000379
 7,-0.00037946,0.00030102,0.00015985,-0.00140868,0.00038464,-0.10604701
 ,-0.07486848,0.28499755,-0.00057837,-0.00029499,0.00087316,-0.00492230
 ,0.00061124,0.00244038,-0.00038444,-0.00018823,0.00309716,0.01184507,-
 0.00430096,0.00960181,-0.14756003,0.05326549,-0.11761225,-0.01373825,0
 .01066112,-0.02549126,-0.00014349,0.00050154,-0.00120756,-0.00007295,0
 .00017200,0.00004117,-0.00000364,-0.00002384,0.00002505,-0.00002851,-0
 .00001813,-0.00003352,0.00021469,-0.00041269,-0.00040339,-0.00000738,0
 .00005713,0.00082358,0.00002560,-0.00013610,-0.00037242,-0.00114032,0.
 00048448,0.00026999,0.00000687,-0.00009519,-0.00013983,0.00042714,-0.0
 0022173,0.00071611,0.15656893,-0.00013957,-0.00040566,-0.00030311,0.00
 104284,0.00689038,0.00181276,-0.00049130,0.00510724,0.00252172,0.00483
 672,0.00105440,0.00577887,0.05357350,-0.06880637,0.07626745,0.00026121
 ,0.00240860,0.00143192,-0.00022883,0.00003042,0.00017625,-0.00000656,0
 .00003106,-0.00000706,-0.00000085,-0.00001526,-0.00002699,-0.00007859,
 0.00001113,0.00000861,0.00046986,-0.00286379,-0.00098356,0.00029155,0.
 00120134,-0.00120740,-0.00005953,-0.00041431,0.00029633,0.00023434,-0.
 00093834,0.00061162,-0.00007626,-0.00101565,-0.00034926,0.00027211,0.0
 0035419,0.00035455,-0.05870010,0.06124728,0.00090748,-0.00028695,-0.00
 003180,0.00175383,0.00175521,0.00213405,0.00386084,0.00260478,-0.00313
 019,-0.01775233,0.00908369,-0.01705822,-0.11668437,0.07512841,-0.21590
 814,0.00366179,-0.00167883,0.00661308,0.00012981,-0.00005484,0.0001800
 4,0.00001326,0.00005199,0.00000148,-0.00000291,-0.00001676,-0.00001014
 ,-0.00005760,0.00000309,0.00000550,-0.00102619,-0.00139311,0.00013396,
 0.00051385,0.00094358,-0.00232043,0.00000260,-0.00012382,0.00076270,-0
 .00071819,-0.00017649,0.00105896,-0.00014158,-0.00033517,-0.00010526,-
 0.00086233,0.00057620,-0.00088444,0.12705067,-0.08433614,0.22717683,-0
 .00161083,0.00187942,-0.00306806,0.01005941,0.00461255,-0.01613795,-0.
 00091183,0.00026346,-0.00062193,-0.00528027,0.00162803,-0.00028687,-0.
 00899280,-0.00848150,0.02925531,-0.10203296,-0.02360793,0.09732611,0.0
 0108203,-0.00062701,-0.00108544,-0.00011656,0.00007020,-0.00009301,0.0
 0001101,0.00000293,0.00000551,-0.00007272,-0.00027172,-0.00035776,-0.0
 0013163,-0.00026082,0.00140245,0.00014952,-0.00061586,0.00021399,-0.00
 001939,0.00022692,-0.00001088,-0.00000346,0.00021396,-0.00022709,0.000
 50264,0.00025508,-0.00092165,0.00003211,-0.00013524,0.00005609,0.00104
 538,-0.00040345,-0.00050163,0.10698041,0.00200220,0.00478139,0.0030538
 4,-0.00382653,0.00106080,0.00899807,0.00039473,-0.00046000,-0.00013162
 ,0.00133019,0.00702070,0.00161174,0.00125223,0.00322299,-0.00246264,-0
 .02371082,-0.05474927,0.06525826,-0.00171673,-0.00312402,-0.00026585,-
 0.00040082,0.00065382,-0.00021682,-0.00007066,-0.00012559,0.00008773,-
 0.00007052,-0.00018072,-0.00002490,0.00015012,0.00026111,-0.00004895,0
 .00000965,-0.00000565,-0.00002178,-0.00000979,-0.00001215,0.00002113,0
 .00001216,-0.00007095,0.00002157,-0.00025780,0.00016857,0.00049124,-0.
 00015445,-0.00098172,-0.00032832,-0.00070625,-0.00350256,-0.00148450,0
 .02534182,0.04676574,-0.00376300,0.00286117,-0.00143048,0.01202019,0.0
 0560665,-0.01809642,-0.00075554,-0.00020651,0.00034096,0.00065734,0.00
 159232,0.00257799,-0.00005419,0.00108142,-0.00033681,0.09645366,0.0648
 8906,-0.27021631,0.00123799,-0.00185562,0.00034609,-0.00055411,0.00037
 727,-0.00013103,0.00009499,-0.00006326,0.00000739,0.00008671,0.0003820
 3,-0.00000104,-0.00015665,0.00010773,-0.00012093,-0.00004567,0.0002921
 4,-0.00001887,0.00002026,-0.00015231,-0.00003949,0.00004024,-0.0001435
 7,0.00007440,0.00058383,0.00040351,-0.00094896,0.00006187,-0.00031172,
 -0.00014762,0.00012889,-0.00148562,0.00039911,-0.10559408,-0.07321889,
 0.28669440,-0.00541004,0.00148542,-0.00079590,-0.01015981,0.00621500,0
 .03329621,-0.00029970,-0.00127964,0.00087773,0.00004589,0.00015206,0.0
 0004932,-0.00001126,-0.00025503,0.00000496,0.00143656,-0.00125055,0.00
 138458,-0.05655009,0.01410398,0.04667762,0.00226113,-0.00432999,-0.015
 93849,-0.00134943,-0.00310189,-0.00038564,0.00021710,0.00074156,-0.000
 01934,-0.00004031,0.00010226,-0.00009679,0.00002258,-0.00026017,0.0000
 1593,-0.00002219,0.00012336,0.00003860,-0.00002210,0.00009915,-0.00007
 753,0.00007357,0.00031164,0.00012394,-0.00043613,-0.00006430,0.0000538
 8,0.00003288,0.00002441,-0.00002209,0.00005961,0.00052716,-0.00085818,
 0.06733452,0.00025552,0.00050693,0.00025079,-0.00096713,-0.00069499,-0
 .00141484,-0.00061351,0.00014638,-0.00014974,0.00012053,-0.00013153,0.
 00022909,0.00000422,-0.00012269,-0.00008599,0.00006621,0.00038435,-0.0
 0034605,0.01478884,-0.05848068,-0.05020382,0.00425078,-0.00916954,-0.0
 2839856,-0.00350274,-0.00445186,0.00035420,0.00069855,0.00140451,-0.00
 132572,-0.00001185,0.00005436,0.00005244,-0.00000849,0.00003742,-0.000
 03667,0.00000257,-0.00001336,0.00000634,-0.00000606,-0.00002385,0.0000
 3027,0.00001885,0.00015875,-0.00028933,-0.00000993,-0.00007046,-0.0000
 0591,-0.00000266,-0.00001959,-0.00001052,0.00022940,0.00001960,0.00027
 386,-0.00997102,0.06310388,0.00141143,-0.00065569,0.00027521,0.0014568
 7,0.00029461,-0.00407814,-0.00047613,0.00028217,-0.00024499,-0.0001351
 3,-0.00015594,0.00058645,0.00089352,0.00040061,0.00015692,-0.00222542,
 0.00094417,0.00055272,0.04903738,-0.05128770,-0.27978967,0.00090091,-0
 .00204919,-0.00907110,-0.00183802,-0.00156220,0.00120158,0.00037761,0.
 00084347,0.00055149,0.00003704,-0.00017234,0.00004094,0.00000147,0.000
 12088,-0.00004759,0.00001827,-0.00005123,-0.00000155,0.00002770,-0.000
 04969,0.00004863,-0.00014577,-0.00017646,0.00028947,0.00010526,-0.0000
 3783,-0.00002924,0.00004860,-0.00005144,-0.00002577,0.00020000,-0.0007
 8214,0.00041838,-0.05258285,0.05809840,0.30475389,0.00148456,-0.000220
 74,-0.00210431,-0.01591758,0.02449506,-0.01996895,-0.00019820,-0.00030
 417,-0.00015601,0.00010121,0.00009975,0.00015939,-0.00051325,-0.000446
 32,-0.00143508,-0.00517752,0.00041523,0.00264963,-0.07860873,0.0693140
 0,-0.04865574,0.00492343,-0.01303955,0.00892189,0.00025995,0.00039958,
 0.00053179,-0.00127253,-0.00282379,-0.00119606,0.00000381,0.00004352,0
 .00000694,0.00004000,-0.00022128,-0.00006378,-0.00002336,0.00012829,0.
 00008431,-0.00003540,0.00006581,-0.00001574,0.00023329,-0.00003622,0.0
 0109411,0.00002508,0.00001011,0.00002434,-0.00043305,-0.00003879,0.000
 00603,0.00011195,0.00029664,0.00015095,0.00212031,-0.00555994,0.003221
 60,0.09200093,-0.00118080,0.00065858,0.00056651,-0.00023981,-0.0009162
 3,0.00124163,0.00054555,0.00015372,-0.00004545,-0.00008000,0.00020792,
 -0.00055040,-0.00071863,-0.00002497,0.00044021,0.00063735,0.00033101,-
 0.00031684,0.07111188,-0.18572159,0.10576111,0.00876427,-0.02439655,0.
 01606386,0.00102987,0.00093264,0.00142110,-0.00437754,-0.00331273,-0.0
 0287685,-0.00001848,-0.00003640,-0.00001776,0.00000425,0.00005560,0.00
 003280,0.00000928,-0.00003538,-0.00003639,0.00001451,-0.00000669,-0.00
 000874,0.00018113,-0.00008208,-0.00062037,0.00003168,-0.00004860,-0.00
 001394,0.00002426,-0.00007106,-0.00004169,-0.00005857,-0.00000432,0.00
 006761,-0.00336380,0.00597202,-0.00353429,-0.07219297,0.20525151,0.001
 58758,-0.00064895,0.00026952,0.00080891,-0.00380402,0.00185441,-0.0006
 4547,-0.00042624,0.00005257,0.00021332,-0.00017121,0.00017607,0.000052
 79,0.00003970,0.00011502,0.00009710,0.00048594,0.00023902,-0.05018342,
 0.10711751,-0.13059190,0.00265706,-0.00707180,0.00349832,0.00032832,-0
 .00070872,0.00097123,-0.00043108,-0.00118433,-0.00001355,-0.00002059,0
 .00013795,0.00010018,-0.00001511,-0.00001625,-0.00002170,-0.00000752,0
 .00001006,0.00001253,-0.00001925,-0.00000208,0.00001110,0.00000453,0.0
 0040445,0.00032926,-0.00005195,0.00002769,0.00001513,-0.00000030,-0.00
 000299,-0.00000667,0.00019604,-0.00011695,0.00041600,-0.01108193,0.022
 91746,-0.01679970,0.05602369,-0.11743812,0.13812112,-0.00018378,0.0001
 4586,-0.00004681,0.00102067,-0.00349450,-0.00122230,-0.00005587,0.0002
 5008,0.00004038,-0.00002442,-0.00004617,0.00000133,-0.00004942,0.00018
 114,0.00013411,-0.00011302,0.00008473,0.00013309,-0.01943462,0.0008349
 1,0.00232776,-0.27605251,0.04940965,0.04142428,-0.00291202,0.00069767,
 0.00131636,-0.00874779,0.00293930,0.00054440,-0.00000327,0.00000574,-0
 .00006847,0.00005415,-0.00024869,-0.00001912,-0.00004305,0.00013175,0.
 00006509,-0.00005423,0.00008259,-0.00004112,-0.00000355,-0.00011307,-0
 .00000218,-0.00004247,0.00001014,0.00003063,-0.00003078,0.00002227,-0.
 00000806,-0.00001010,-0.00007687,-0.00005129,0.00050008,0.00029770,-0.
 00064045,0.00071742,-0.00016714,0.00058218,0.30110128,-0.00047580,0.00
 038652,0.00006312,-0.00065601,-0.00466669,-0.00186438,0.00001199,0.000
 26191,0.00019301,-0.00010514,-0.00005851,0.00000575,-0.00005729,0.0003
 5730,-0.00003019,-0.00056704,0.00026036,0.00039113,-0.03048649,0.00037
 094,0.00339628,0.04921369,-0.05617741,-0.00833464,0.00795616,-0.001992
 37,-0.00261994,0.02687512,-0.00848170,-0.00261416,-0.00000696,-0.00000
 450,-0.00006125,0.00002478,-0.00024664,-0.00000256,-0.00000847,0.00013
 157,0.00005250,-0.00001311,0.00009518,-0.00004366,0.00002917,-0.000214
 65,0.00003413,-0.00008023,-0.00000803,0.00002780,-0.00008976,-0.000006
 17,-0.00001519,0.00000902,-0.00016434,-0.00021560,0.00055385,0.0012643
 8,0.00011376,0.00030349,0.00123442,0.00058872,-0.05235817,0.06926823,-
 0.00038900,0.00014927,-0.00010683,-0.00024261,-0.00156936,0.00038012,-
 0.00002479,0.00010148,0.00016427,-0.00003671,-0.00001524,0.00000027,0.
 00003787,0.00001490,0.00002454,0.00002591,0.00015816,-0.00004649,-0.00
 857391,0.00008866,0.00078085,0.04136397,-0.00836014,-0.05444713,0.0328
 9231,-0.00813784,-0.01017946,-0.02015991,0.00620824,0.00213160,0.00000
 222,-0.00000424,-0.00001135,0.00000387,-0.00003869,-0.00006476,0.00000
 501,0.00003448,0.00004505,-0.00001022,-0.00000553,0.00003013,0.0000233
 5,-0.00014908,0.00005124,-0.00004703,-0.00001801,0.00001031,-0.0000040
 3,0.00000584,0.00000234,0.00000405,-0.00000658,0.00001642,-0.00033110,
 0.00054941,0.00033691,0.00052503,0.00022660,0.00013827,-0.04404726,0.0
 0974338,0.06522494,-0.00063188,-0.00098254,-0.00011048,-0.00023817,-0.
 00036783,-0.00064987,0.00009199,-0.00020918,-0.00006014,0.00003312,0.0
 0010425,-0.00012800,-0.00018029,0.00002251,0.00004439,0.00035255,-0.00
 014947,0.00016675,-0.00005271,-0.00042062,0.00003997,-0.00298917,0.001
 44414,0.00201905,-0.28035672,0.05867218,0.05281291,0.00065393,-0.00006
 655,-0.00043087,0.00000699,0.00001319,0.00001133,-0.00000081,0.0000495
 4,0.00004475,-0.00000913,-0.00004015,-0.00003503,-0.00000936,-0.000006
 43,-0.00002206,-0.00020958,0.00008425,-0.00024111,0.00003181,0.0000261
 4,-0.00000528,0.00000757,-0.00000008,0.00000590,-0.00000718,0.00002612
 ,-0.00000731,0.00005501,0.00011450,0.00012400,-0.00000090,-0.00004617,
 0.00000611,0.00143204,-0.00009809,0.00048093,0.30616287,-0.00032530,0.
 00000181,-0.00012918,0.00023884,-0.00019959,-0.00028494,-0.00035861,0.
 00013952,0.00012859,-0.00004180,-0.00012701,0.00020172,0.00027605,-0.0
 0004879,-0.00003473,-0.00027583,0.00004497,-0.00014072,0.00069181,0.00
 013308,0.00019911,0.00830875,-0.00294620,-0.00193065,0.05721660,-0.061
 54913,-0.01254298,-0.00093342,0.00026239,0.00052750,0.00001815,-0.0000
 3370,0.00003666,-0.00005062,0.00024466,0.00004084,0.00001752,-0.000141
 43,-0.00006153,0.00003015,-0.00008926,0.00003224,0.00000311,-0.0006213
 6,0.00005273,-0.00000468,0.00000768,-0.00001555,0.00000737,0.00000890,
 0.00001948,0.00001929,-0.00001739,0.00008078,-0.00019312,0.00011159,0.
 00008273,0.00000161,0.00003517,0.00000048,-0.00014977,0.00025449,-0.00
 170775,-0.06354286,0.06319491,-0.00030657,-0.00019153,0.00014629,-0.00
 029972,-0.00043718,0.00008972,-0.00013124,0.00001767,0.00001612,-0.000
 02940,-0.00003819,0.00008035,0.00006578,0.00001743,-0.00006394,-0.0001
 9956,0.00016367,-0.00011121,0.00028394,0.00059688,0.00116554,0.0329781
 8,-0.00757458,-0.00825304,0.05159309,-0.01217576,-0.05909039,0.0010451
 5,-0.00078605,0.00196118,-0.00000627,-0.00000249,0.00002231,-0.0000351
 3,0.00007506,0.00006433,0.00001618,-0.00005036,-0.00005464,0.00002722,
 -0.00001174,-0.00001792,-0.00005236,0.00012774,0.00001065,0.00002291,0
 .00001679,-0.00001053,-0.00000134,-0.00001297,-0.00000231,0.00001667,-
 0.00001386,0.00000852,-0.00011347,0.00024916,0.00014629,-0.00007930,-0
 .00004831,-0.00009421,0.00043615,-0.00168688,-0.00645386,-0.05913076,0
 .01549872,0.06554449,-0.00014992,-0.00017071,-0.00010195,0.00008108,-0
 .00005348,0.00003192,0.00023359,-0.00016766,-0.00005330,0.00006552,0.0
 0008273,-0.00015000,-0.00019561,0.00002850,0.00003915,0.00023872,-0.00
 008494,0.00014553,0.00052806,0.00054209,0.00085851,0.00152931,0.003821
 10,0.00161154,-0.13419998,-0.11857371,-0.03311583,-0.00012144,-0.00012
 476,0.00010200,-0.00000809,0.00003074,-0.00001978,0.00004580,-0.000174
 28,-0.00003713,-0.00002197,0.00010406,0.00005099,-0.00002855,0.0000622
 0,-0.00001890,-0.00008867,0.00020206,-0.00010139,-0.00000677,0.0000015
 2,0.00001340,-0.00000764,0.00000046,-0.00000969,-0.00000126,0.00001252
 ,-0.00003908,0.00018926,0.00004768,0.00018421,-0.00003474,-0.00020924,
 0.00006656,0.00069170,0.00027824,-0.00050089,-0.01703515,-0.02487330,-
 0.00657363,0.14243945,-0.00001422,-0.00014413,0.00025648,0.00050018,0.
 00015226,0.00006084,-0.00000780,0.00005756,-0.00008817,-0.00003501,0.0
 0001557,0.00002143,0.00000619,0.00000686,-0.00001859,-0.00018054,0.000
 10460,0.00000671,0.00105453,0.00060366,-0.00194666,-0.00414143,-0.0074
 5044,-0.00137886,-0.11850394,-0.20765995,-0.04349202,0.00026843,0.0005
 5706,0.00087539,-0.00000812,0.00001482,-0.00002682,0.00003109,-0.00013
 965,-0.00003174,-0.00001975,0.00007964,0.00004392,-0.00002433,0.000046
 05,-0.00001364,0.00004932,0.00009520,-0.00012507,-0.00001715,-0.000015
 53,0.00001303,-0.00001747,0.00000159,-0.00001030,0.00000544,-0.0000272
 3,-0.00000233,-0.00058281,-0.00035012,-0.00039954,0.00006247,0.0005243
 4,0.00009799,0.00041658,-0.00001430,0.00003354,0.00438171,0.00696447,0
 .00235289,0.13091559,0.22486674,0.00005323,0.00039671,-0.00020238,0.00
 110395,0.00012004,0.00000554,-0.00015806,0.00004254,0.00010233,-0.0000
 2353,-0.00008368,0.00014694,0.00017381,0.00002456,-0.00005604,-0.00033
 556,0.00012933,-0.00001633,0.00123389,-0.00017383,-0.00636272,-0.02000
 741,-0.02577847,-0.00764692,-0.03188858,-0.04215586,-0.05796814,-0.000
 51060,-0.00115424,0.00145344,0.00000325,-0.00001187,-0.00000638,0.0000
 0480,-0.00005534,0.00000300,-0.00000126,0.00002938,0.00000985,-0.00000
 054,0.00002257,-0.00001249,0.00005993,-0.00020162,0.00014201,-0.000029
 30,0.00000332,0.00000590,-0.00001714,0.00000275,-0.00000301,0.00002158
 ,-0.00005542,0.00001226,-0.00092457,-0.00175308,-0.00058281,0.00020810
 ,0.00004836,0.00022194,0.00030322,0.00023621,0.00144780,0.00331543,0.0
 0603985,0.00077722,0.03489816,0.04925588,0.06448651,-0.00014517,0.0003
 5038,-0.00048732,0.00000191,-0.00004560,0.00006118,0.00005621,-0.00001
 322,0.00018634,0.00002268,-0.00004090,0.00001823,0.00009197,-0.0000109
 3,0.00005328,-0.00001315,-0.00007638,0.00003259,0.00007330,0.00051183,
 -0.00036375,-0.00033375,-0.00336090,0.00221773,-0.06797293,0.05546941,
 -0.04184874,0.00044177,-0.00004169,0.00046291,0.00001900,-0.00002841,0
 .00001037,-0.00000474,0.00009915,0.00001322,-0.00000464,-0.00005647,-0
 .00001836,0.00000358,-0.00003776,0.00001522,-0.00015264,-0.00039576,0.
 00015014,-0.00001787,0.00002607,-0.00000158,0.00000341,0.00000601,0.00
 001029,0.00001346,-0.00000706,0.00004231,-0.00004767,-0.00011768,0.000
 09796,0.00006099,-0.00021129,-0.00009121,0.00028076,-0.00055099,-0.000
 23746,-0.00754233,0.02402471,-0.01834858,0.00569921,-0.01438054,0.0119
 6889,0.06852331,0.00005819,-0.00022256,0.00028500,-0.00011084,0.000018
 00,0.00003540,-0.00003630,0.00003871,-0.00009120,-0.00000948,0.0000112
 8,0.00001751,-0.00000902,0.00002984,-0.00003525,0.00000273,0.00005012,
 -0.00003061,-0.00016283,0.00091770,-0.00035311,-0.00324346,0.00579879,
 -0.00515820,0.05585140,-0.19918651,0.11433671,-0.00030973,0.00043103,-
 0.00117649,-0.00001262,-0.00000574,0.00000311,-0.00001143,0.00000228,0
 .00002563,0.00001709,-0.00000246,-0.00002174,0.00001737,0.00000990,-0.
 00001364,-0.00022209,0.00007417,-0.00014862,0.00002301,-0.00000542,-0.
 00000467,0.00000024,-0.00001026,-0.00000461,-0.00001008,-0.00001013,-0
 .00003417,0.00004832,0.00024252,0.00007880,0.00017164,0.00024085,0.000
 02101,-0.00030903,0.00035768,0.00070903,0.00143089,-0.00595221,0.00341
 224,0.00790292,-0.01902372,0.01408848,-0.06128421,0.21548620,-0.000084
 62,0.00013433,-0.00025470,-0.00003722,-0.00021950,-0.00001642,-0.00001
 954,-0.00004000,0.00011771,0.00001659,-0.00001821,0.00001026,0.0000653
 2,-0.00001776,0.00005603,0.00009111,-0.00003258,-0.00009299,-0.0002214
 3,0.00161714,0.00118956,-0.01008402,0.02582950,-0.01813039,-0.04137814
 ,0.11278805,-0.13214251,0.00137959,-0.00355139,-0.00611354,0.00000940,
 -0.00000809,0.00001609,-0.00000728,0.00004440,-0.00003060,0.00000282,-
 0.00001632,0.00000996,-0.00000111,-0.00002865,0.00002848,-0.00009786,-
 0.00009410,0.00016671,0.00000245,0.00000906,-0.00000141,0.00001696,0.0
 0000410,0.00000301,0.00002397,0.00003777,0.00006880,0.00044693,-0.0000
 5725,0.00037414,-0.00010020,-0.00114287,0.00012844,0.00052665,0.000036
 34,0.00115944,0.00119769,-0.00598146,0.00403286,0.00301450,-0.00533834
 ,0.00404670,0.04567224,-0.12533481,0.14632211,-0.00004173,-0.00002579,
 -0.00007490,-0.00001062,0.00003753,-0.00004917,0.00006801,0.00002578,-
 0.00004978,0.00001544,-0.00002101,-0.00002651,0.00003465,0.00009578,-0
 .00013677,-0.00003554,-0.00002009,0.00053778,0.00023997,-0.00017810,0.
 00061631,-0.00015199,-0.00278047,-0.00900827,-0.00008861,0.00145711,-0
 .00078928,-0.05117132,0.00690762,0.02959139,0.00000618,-0.00001000,-0.
 00002562,-0.00000432,0.00007133,0.00006564,-0.00000363,-0.00005316,-0.
 00004480,0.00000587,-0.00001096,-0.00002600,0.00000217,0.00000594,-0.0
 0003055,0.00000201,0.00000911,-0.00000553,-0.00001932,0.00001859,0.000
 01914,-0.00018279,-0.00023975,-0.00027977,0.00012483,-0.00002898,0.000
 09089,-0.00013559,-0.00005905,-0.00005461,0.00019536,-0.00064623,-0.00
 004168,0.00027749,-0.00000075,-0.00038675,0.00004778,0.00024260,0.0003
 5708,0.00056936,0.00010527,-0.00058104,0.05031899,0.00007139,-0.000033
 14,0.00005769,-0.00012015,-0.00009058,-0.00007520,0.00003697,0.0000175
 9,-0.00000735,-0.00000103,0.00000914,-0.00002321,-0.00003482,0.0000134
 7,0.00000305,-0.00003012,-0.00003932,-0.00006772,-0.00021925,0.0016171
 5,0.00079836,-0.00446505,0.00609221,0.02562127,0.00137280,-0.00427691,
 0.00230419,0.00720359,-0.06114760,-0.05847869,-0.00000303,-0.00000881,
 0.00000618,-0.00001610,0.00004367,-0.00003138,0.00001466,-0.00001380,0
 .00000660,0.00001384,-0.00002682,0.00003197,0.00000522,0.00002313,-0.0
 0000589,0.00001256,-0.00000361,-0.00000501,0.00001599,0.00000053,0.000
 00067,-0.00026307,-0.00005344,0.00002602,0.00003510,-0.00031975,-0.000
 41016,0.00025809,0.00031861,-0.00019563,-0.00011577,0.00098616,-0.0008
 1192,-0.00009476,-0.00013049,-0.00010136,0.00028836,0.00015201,0.00008
 559,0.00004624,0.00046382,0.00167610,-0.00852039,0.06491957,-0.0000657
 9,0.00007626,0.00002442,-0.00003806,0.00016126,0.00010390,-0.00005648,
 -0.00002446,0.00009125,-0.00002682,0.00002174,0.00001130,0.00001361,-0
 .00006424,0.00018408,0.00002610,0.00004977,-0.00058090,0.00020838,-0.0
 0125664,0.00033830,0.00274456,-0.00556580,-0.01856543,-0.00183706,0.00
 466307,-0.00087741,0.02937548,-0.05684612,-0.28687654,-0.00000402,-0.0
 0001084,0.00003093,0.00000008,-0.00001146,-0.00009026,0.00001076,0.000
 02630,0.00004870,0.00000325,-0.00001812,0.00005264,-0.00001433,-0.0000
 7823,0.00004636,-0.00001337,-0.00001408,0.00000199,0.00001711,-0.00001
 384,-0.00001155,0.00003876,0.00000199,0.00033535,0.00024768,0.00080612
 ,0.00067661,-0.00023610,-0.00000799,0.00038326,-0.00053912,-0.00005993
 ,0.00061466,0.00002248,-0.00007271,0.00034844,0.00001666,-0.00005066,0
 .00039371,0.00015645,-0.00019441,-0.00141022,-0.03122028,0.06143273,0.
 31492279,0.00024638,0.00002530,-0.00022342,-0.00010254,-0.00002752,-0.
 00004873,-0.00022704,0.00003575,0.00002495,0.00009808,-0.00002141,0.00
 016890,0.00025245,-0.00016531,-0.00008932,-0.00016556,-0.00023863,-0.0
 0010189,0.00003499,0.00166328,-0.00115292,0.00484982,0.00845826,0.0018
 0451,0.00002453,0.00003059,0.00017149,-0.13402073,-0.11946178,-0.03131
 963,0.00000279,0.00002001,0.00000638,0.00004768,-0.00015892,-0.0000508
 9,-0.00002180,0.00010026,0.00005309,-0.00003201,0.00005458,-0.00001000
 ,0.00000387,-0.00000807,0.00004457,-0.00001103,-0.00000723,0.00001028,
 0.00000473,0.00000489,-0.00000878,-0.00005579,0.00009880,0.00027115,-0
 .00008482,-0.00012895,-0.00012103,0.00028760,0.00045757,-0.00004552,0.
 00079195,-0.00024508,0.00059864,-0.00011598,-0.00013602,-0.00005963,0.
 00024907,-0.00002128,0.00022630,0.00002523,0.00018004,0.00021679,0.002
 27681,0.00434575,0.00051390,0.14279158,-0.00032264,0.00010401,0.000157
 48,0.00105735,0.00025292,-0.00012562,0.00011407,-0.00000178,0.00003016
 ,-0.00005430,0.00002847,-0.00008201,-0.00008560,0.00003480,0.00006122,
 0.00001227,0.00013637,0.00002086,0.00263051,-0.00288948,0.00408141,-0.
 01549924,-0.02137580,-0.00596005,-0.00042235,0.00075224,-0.00137045,-0
 .11840702,-0.20680680,-0.04325878,-0.00000762,0.00000762,-0.00002811,0
 .00003197,-0.00015783,-0.00002260,-0.00001773,0.00008808,0.00004316,-0
 .00002231,0.00005570,-0.00002207,0.00001295,-0.00004077,-0.00004013,-0
 .00002869,-0.00000519,0.00001714,-0.00002785,-0.00000235,-0.00001137,0
 .00006925,-0.00003273,-0.00002143,0.00015862,0.00048121,0.00006107,-0.
 00095908,-0.00153408,-0.00013713,0.00039247,0.00070405,-0.00068801,0.0
 0002460,-0.00000148,0.00007318,0.00025487,0.00059142,0.00080330,0.0003
 7940,0.00030162,-0.00011590,-0.00358430,-0.00569134,-0.00172445,0.1299
 0016,0.22760750,0.00010105,-0.00001565,-0.00002095,-0.00054525,-0.0000
 1457,0.00008863,-0.00009832,-0.00000829,-0.00001229,-0.00000200,0.0000
 0453,0.00008678,0.00009115,-0.00004239,0.00010440,-0.00010140,-0.00007
 795,-0.00048351,-0.00102447,0.00245268,-0.00237405,0.01230607,0.015067
 77,0.00295466,0.00075859,0.00064939,0.00111757,-0.03215542,-0.04446930
 ,-0.05895691,0.00000219,-0.00000022,0.00002153,0.00000886,-0.00001189,
 0.00000332,-0.00000791,0.00000533,-0.00000146,-0.00000824,0.00000725,-
 0.00000623,-0.00001035,0.00001568,0.00001981,0.00000322,-0.00000201,0.
 00000045,0.00001494,-0.00001046,-0.00001113,0.00003975,0.00003368,0.00
 024029,-0.00006748,0.00017352,0.00031250,0.00034961,0.00100256,0.00050
 191,0.00006664,-0.00081035,0.00063303,0.00003965,-0.00000644,-0.000082
 02,-0.00030102,-0.00009613,-0.00033161,-0.00006905,-0.00023561,0.00026
 504,-0.01896023,-0.02434226,-0.00586197,0.03639447,0.04584603,0.061360
 32,0.00031508,0.00000068,-0.00030862,-0.00007593,-0.00067042,0.0003661
 2,-0.00018046,0.00003487,-0.00000226,0.00006230,0.00000512,0.00014808,
 0.00008178,-0.00019499,-0.00009036,-0.00061324,-0.00086032,-0.00035890
 ,-0.00006875,-0.00049643,-0.00019238,-0.00893749,0.00359826,0.00063004
 ,0.00053014,-0.00036323,0.00057172,-0.28298371,0.06360406,0.03930784,0
 .00001687,0.00000541,0.00001510,-0.00000004,0.00006447,-0.00000130,-0.
 00001145,-0.00003921,-0.00000981,-0.00000754,-0.00002854,0.00001258,-0
 .00000654,0.00001907,0.00002204,0.00000712,0.00000648,-0.00000600,0.00
 002871,0.00002136,0.00001330,-0.00017942,-0.00016489,0.00020526,0.0000
 0278,-0.00000663,-0.00004062,0.00004926,0.00012247,-0.00004351,0.00101
 137,0.00125164,-0.00131080,0.00024911,-0.00000261,-0.00074470,-0.00012
 002,0.00003495,-0.00001593,0.00034149,-0.00007149,-0.00007990,-0.00234
 906,0.00016027,0.00066334,-0.01713433,0.00442749,0.00317201,0.30993975
 ,-0.00027639,-0.00001446,0.00026422,-0.00001584,-0.00054267,-0.0001084
 3,0.00025129,-0.00004871,-0.00002005,-0.00008615,0.00002937,-0.0002070
 6,-0.00035645,0.00013087,0.00005528,-0.00046601,-0.00016624,0.00000191
 ,0.00061951,0.00081568,-0.00051225,0.02680608,-0.00742806,-0.00429418,
 -0.00036391,0.00075431,-0.00138693,0.06176617,-0.06330078,-0.01017915,
 -0.00000218,-0.00001102,0.00000639,-0.00005941,0.00024571,0.00003046,0
 .00002462,-0.00014022,-0.00005745,0.00003118,-0.00009680,0.00003981,0.
 00001166,0.00002552,-0.00006784,0.00001241,0.00000888,-0.00001512,0.00
 000286,0.00000690,0.00002182,-0.00009124,-0.00027828,-0.00026996,-0.00
 003048,-0.00004535,0.00005099,-0.00022601,0.00027983,0.00007016,0.0011
 6986,-0.00389973,0.00348599,-0.00036844,0.00044830,0.00052833,-0.00013
 555,-0.00000617,0.00009437,-0.00025636,-0.00005172,-0.00018500,0.00720
 246,-0.00282357,-0.00122564,-0.02474460,0.00739743,0.00488781,-0.07046
 776,0.06870020,-0.00007814,-0.00008644,-0.00000780,0.00044025,0.000174
 01,0.00019003,0.00014437,-0.00001560,-0.00007149,-0.00002676,-0.000007
 40,-0.00009637,-0.00013389,0.00013091,0.00002489,0.00020819,0.00018388
 ,0.00032118,0.00034747,-0.00067942,0.00036420,-0.01986874,0.00455519,0
 .00232018,-0.00120491,-0.00016346,0.00159702,0.03941578,-0.01091465,-0
 .05444388,-0.00000188,-0.00000740,-0.00002470,-0.00000381,0.00003093,0
 .00013412,-0.00000608,-0.00004692,-0.00007359,0.00002151,0.00002767,-0
 .00007084,-0.00000832,0.00002379,-0.00003645,0.00000573,0.00001992,-0.
 00000200,-0.00002914,-0.00000770,-0.00000105,0.00001906,-0.00034204,-0
 .00038750,0.00005124,0.00010103,-0.00002209,-0.00003502,-0.00016748,-0
 .00001652,-0.00129422,0.00344715,-0.00188247,0.00048529,-0.00000709,-0
 .00016143,-0.00003163,-0.00001737,-0.00007542,0.00029789,-0.00016597,0
 .00020495,0.03050953,-0.00747664,-0.00432170,-0.00729373,0.00238890,0.
 00042838,-0.04191600,0.00902613,0.05609877,-0.00022555,0.00002111,-0.0
 0006513,0.00011485,0.00005605,-0.00031606,0.00115454,-0.00083626,0.002
 39534,-0.01124076,-0.01160690,0.03093281,-0.00601326,0.00109394,-0.001
 10402,0.00025959,-0.00032753,0.00158786,-0.00001682,0.00001823,-0.0000
 9073,0.00000646,0.00001971,0.00001451,-0.00000501,-0.00000382,0.000006
 89,-0.00000085,-0.00000924,0.00000115,-0.05645055,-0.01882259,0.045840
 75,0.00095392,0.00548546,-0.00925840,-0.00032772,-0.00097876,-0.000401
 15,-0.00004015,0.00247474,0.00006312,0.00004655,0.00000827,-0.00000497
 ,-0.00027757,0.00045258,-0.00117668,0.00017499,-0.00007228,-0.00006955
 ,-0.00046602,0.00003186,0.00007276,0.00001562,0.00000345,-0.00002174,-
 0.00003514,0.00000606,-0.00000503,-0.00000893,-0.00000560,-0.00000435,
 0.00000383,-0.00000218,0.00000800,-0.00000059,-0.00000120,-0.00000457,
 -0.00000603,0.00000637,-0.00000405,0.00000720,0.00000221,-0.00000974,-
 0.00000653,-0.00000510,-0.00000431,0.00000212,0.00001036,0.00000639,0.
 06988211,-0.00018514,-0.00005971,-0.00007886,0.00002732,0.00013701,-0.
 00015383,0.00089515,0.00010432,-0.00048662,0.00084855,0.00095958,-0.00
 268855,0.00045751,0.00091421,0.00027033,0.00026344,0.00016083,-0.00000
 396,0.00000744,-0.00000186,-0.00000869,0.00000220,0.00000503,0.0000046
 2,-0.00000640,-0.00000276,-0.00000222,0.00000222,-0.00000322,-0.000004
 62,-0.01831032,-0.08109559,0.08069416,-0.00708724,-0.01408258,0.033813
 81,0.00041558,0.00271027,-0.00163820,0.00240271,-0.00728997,-0.0004173
 1,-0.00002254,-0.00006115,-0.00001149,-0.00004210,0.00030288,-0.000045
 66,-0.00002034,-0.00018036,-0.00008619,0.00001714,-0.00013227,-0.00005
 409,-0.00000363,0.00000213,0.00000413,0.00000051,0.00000197,0.00000193
 ,-0.00000292,-0.00000103,-0.00000266,-0.00000004,0.00000228,0.00000423
 ,-0.00000208,-0.00000219,0.00000094,0.00000116,0.00000119,0.00000050,0
 .00000041,-0.00000015,-0.00000108,-0.00000124,-0.00000165,0.00000074,0
 .00000071,0.00000114,0.00000300,0.01791993,0.09226904,0.00032670,-0.00
 030732,0.00015993,-0.00012717,-0.00009192,0.00026878,-0.00309138,0.000
 01013,0.00060734,0.00287165,0.00202765,-0.00569323,0.00081485,0.000095
 32,0.00095005,-0.00031497,0.00014143,-0.00031950,-0.00000743,0.0000365
 1,0.00008095,0.00000697,-0.00001596,-0.00001222,0.00000380,0.00000319,
 -0.00000324,-0.00000156,0.00000400,0.00000097,0.04774020,0.08708150,-0
 .26883252,0.00012395,-0.00006825,-0.00401308,-0.00007008,-0.00182479,0
 .00209700,0.00027767,0.00022924,0.00126222,0.00001957,0.00000716,-0.00
 001164,0.00015008,-0.00001872,0.00084341,-0.00014456,-0.00009700,0.000
 09169,0.00009937,-0.00004437,-0.00001474,-0.00002349,0.00000268,-0.000
 00239,0.00001808,-0.00000399,0.00000289,0.00000876,0.00000631,0.000003
 00,-0.00000198,-0.00000331,-0.00000445,0.00000311,0.00000316,0.0000013
 9,0.00000037,-0.00000340,0.00000173,-0.00000480,-0.00000022,0.00000489
 ,0.00000473,0.00000376,0.00000191,0.00000008,-0.00000635,-0.00000508,-
 0.04866666,-0.09012268,0.29263962,-0.00083882,0.00160714,0.00022671,-0
 .00004990,0.00008986,-0.00049558,-0.00175996,-0.00138485,0.00215273,-0
 .02679056,-0.01729383,-0.02372461,0.00032723,-0.00049485,-0.00081799,0
 .00046590,0.00079464,-0.00035012,-0.00008351,-0.00012685,-0.00006403,0
 .00001277,0.00010182,0.00004316,-0.00000934,-0.00002469,0.00000205,-0.
 00001296,-0.00001885,-0.00001959,-0.09749499,-0.02638181,-0.03357399,0
 .00848807,-0.00329608,0.00646939,-0.00352392,0.00469968,0.00126721,-0.
 00077649,0.00164275,-0.00119549,-0.00023823,0.00013674,0.00004372,-0.0
 0006039,-0.00047120,-0.00039953,-0.00048412,-0.00016714,-0.00007651,0.
 00007924,-0.00009063,0.00000464,-0.00004726,0.00002645,-0.00000335,-0.
 00003926,-0.00000650,0.00005197,-0.00003651,-0.00003150,-0.00000620,0.
 00000963,0.00002577,0.00001577,-0.00001611,-0.00001662,-0.00000863,0.0
 0000403,0.00000265,0.00000547,-0.00000017,0.00000511,0.00000313,-0.000
 01156,-0.00002087,0.00000282,0.00000915,0.00002500,-0.00000252,0.00296
 533,0.00304192,0.00227745,0.53952286,0.00000040,-0.00054288,-0.0000513
 5,0.00011959,-0.00004465,-0.00009548,0.00198198,-0.00084710,0.00008699
 ,-0.00384805,0.00224823,0.00224137,0.00057179,0.00062081,-0.00029767,0
 .00010393,-0.00007494,-0.00007635,-0.00001482,0.00011685,0.00003699,0.
 00002007,-0.00006150,-0.00002646,-0.00000326,0.00001922,-0.00000286,0.
 00000029,0.00001116,0.00001266,-0.02868068,-0.10312741,-0.03121422,-0.
 01995348,-0.02195410,-0.02453156,0.00466052,-0.00456164,-0.00104118,0.
 00067937,-0.00164546,-0.00028275,0.00011626,0.00003857,0.00004875,-0.0
 0001408,0.00041370,-0.00008020,-0.00020191,-0.00003602,0.00008972,0.00
 005253,0.00000892,-0.00003479,0.00002415,0.00000393,-0.00001784,0.0000
 3283,-0.00000619,0.00000816,0.00003459,0.00002406,0.00000415,-0.000001
 92,-0.00002223,-0.00000935,0.00001499,0.00001279,0.00000349,-0.0000057
 7,-0.00000402,-0.00000055,-0.00000672,-0.00000409,0.00000017,0.0000152
 5,0.00001267,0.00000277,-0.00000044,-0.00002370,-0.00000531,0.00593126
 ,0.00642984,0.00556879,-0.03704152,0.53884730,0.00021696,-0.00012272,-
 0.00008034,0.00025749,-0.00003192,0.00037556,0.00096382,-0.00036283,-0
 .00043778,-0.00467777,0.00370830,0.00526451,0.00207062,-0.00024415,-0.
 00020946,-0.00056505,0.00010576,-0.00017856,-0.00002952,0.00004672,0.0
 0001038,0.00000495,-0.00008266,-0.00002764,-0.00000392,0.00001805,-0.0
 0001121,-0.00000040,0.00000845,0.00002275,-0.03187155,-0.02949672,-0.1
 2568934,0.00416991,-0.00983901,-0.00032323,-0.00183822,0.00126637,0.00
 168327,-0.00051097,0.00133490,-0.00160000,0.00011957,-0.00000789,0.000
 00124,0.00011844,-0.00020881,0.00019052,0.00041591,0.00041645,-0.00022
 521,0.00003545,-0.00009435,-0.00005941,0.00006407,-0.00002548,-0.00001
 316,0.00004612,-0.00001035,-0.00002386,0.00003895,0.00002519,0.0000038
 0,-0.00000467,-0.00001345,-0.00001326,0.00000978,0.00001221,0.00000880
 ,0.00000149,-0.00000692,-0.00000352,0.00000754,-0.00000799,-0.00001112
 ,0.00000401,0.00001659,-0.00000511,-0.00000681,-0.00001319,0.00000969,
 -0.01777763,-0.01866965,-0.02038479,-0.04211807,-0.04545679,0.52575757
 ,0.00006505,0.00006900,0.00000678,-0.00006286,-0.00003303,0.00003796,0
 .00003226,-0.00001273,-0.00017061,0.00061491,-0.00118084,0.00024359,-0
 .00008668,-0.00014330,0.00017292,-0.00010581,0.00000099,-0.00000843,-0
 .00001459,0.00002242,0.00000841,0.00001544,0.00000621,-0.00002622,-0.0
 0003002,-0.00000047,0.00000621,-0.00006808,-0.00000186,0.00002495,0.00
 460492,0.00049128,-0.00166383,0.00208966,0.00889221,-0.00273738,-0.005
 68303,-0.00205965,0.00205237,-0.04182347,0.10442689,0.01262865,0.00001
 949,0.00000337,0.00000784,0.00000922,-0.00002148,0.00001381,0.00004941
 ,0.00017473,-0.00010655,-0.00001679,0.00004140,0.00002034,0.00000938,0
 .00000419,-0.00001068,0.00000915,-0.00001338,0.00001112,0.00002458,-0.
 00001411,0.00000633,0.00001042,0.00000583,-0.00001407,0.00000137,0.000
 00746,-0.00000376,0.00000936,-0.00001764,0.00000707,0.00000475,-0.0000
 0685,-0.00000519,0.00000389,0.00000343,0.00000324,0.00001992,0.0000081
 9,-0.00001484,0.00011194,0.00067586,0.00010543,0.00025318,0.00007187,0
 .00012676,0.04010069,-0.00016203,0.00004892,0.00009102,0.00000120,0.00
 005874,-0.00017034,0.00029225,0.00003452,0.00014040,0.00003098,-0.0001
 4478,-0.00002733,-0.00018511,0.00015796,-0.00007019,0.00017343,0.00004
 293,0.00000522,0.00001686,-0.00004631,-0.00002606,-0.00000005,0.000046
 96,0.00000269,0.00000552,-0.00001863,0.00000131,-0.00000686,-0.0000184
 4,-0.00000110,-0.00020783,0.00201537,0.00340443,0.00912936,-0.03200962
 ,0.00841103,-0.00213836,0.00272763,-0.00841705,0.10390023,-0.44170896,
 -0.04775264,-0.00001088,-0.00001184,-0.00001159,0.00000569,-0.00003820
 ,-0.00003388,0.00015532,-0.00018392,-0.00014032,-0.00001464,0.00000866
 ,0.00002451,-0.00000820,0.00000247,0.00000989,-0.00001165,-0.00000209,
 -0.00000230,-0.00001706,-0.00001714,0.00000149,0.00000099,0.00002115,0
 .00000452,-0.00001803,-0.00001048,-0.00000384,0.00000712,-0.00000239,0
 .00000543,0.00000457,0.00000487,0.00000143,-0.00002080,-0.00001236,-0.
 00000444,0.00000990,0.00002680,-0.00000179,0.00046900,-0.00061386,0.00
 006079,0.00007938,0.00092378,0.00005125,-0.11134266,0.46867339,0.00004
 342,-0.00002754,-0.00004048,0.00002314,-0.00001276,0.00004416,-0.00013
 099,-0.00001165,-0.00009074,-0.00003626,-0.00010177,-0.00012776,0.0001
 1772,-0.00002315,-0.00026137,-0.00004120,0.00000079,0.00013999,-0.0000
 1618,0.00001999,0.00002260,0.00000077,-0.00003740,0.00000539,-0.000019
 87,0.00001630,-0.00000122,-0.00000293,0.00002003,0.00000117,0.00018172
 ,0.00135063,-0.00619022,-0.01362008,0.05350765,0.00746594,0.00177492,-
 0.00780413,0.00117922,0.02315298,-0.09209669,-0.05780056,0.00000771,0.
 00000310,0.00000458,0.00000208,0.00004206,0.00002869,-0.00015031,-0.00
 007157,0.00024583,0.00003424,-0.00001410,-0.00002471,0.00000965,-0.000
 00457,-0.00001336,0.00001345,0.00000211,0.00000092,0.00001449,0.000010
 62,-0.00000603,0.00000750,-0.00000860,-0.00000159,0.00000714,0.0000055
 1,0.00000310,-0.00000171,-0.00000034,-0.00000726,0.00000712,-0.0000124
 5,-0.00001304,0.00000829,0.00000751,0.00000439,-0.00000235,-0.00001490
 ,0.00001628,-0.00047559,0.00151857,-0.00002791,0.00017608,-0.00074445,
 -0.00029494,-0.01109531,0.04452622,0.05506636,0.00031793,-0.00004611,-
 0.00006513,0.00004387,-0.00007618,0.00025439,-0.00039027,0.00021837,-0
 .00012366,0.00150129,0.00081346,0.00004947,-0.00030693,0.00007494,-0.0
 0053536,-0.00026955,0.00006842,0.00020388,-0.00001299,-0.00002849,0.00
 003782,-0.00001168,-0.00002120,-0.00000855,0.00000254,0.00001122,-0.00
 000087,-0.00000006,0.00001181,0.00000490,0.00235044,0.00640135,-0.0176
 6949,0.00052583,0.00026679,0.00104355,0.00008413,-0.00008101,-0.000134
 05,-0.00030898,-0.00021129,-0.00026039,0.00001267,-0.00000589,0.000005
 78,0.00003017,-0.00007003,0.00012845,-0.00096894,-0.00082820,0.0001481
 8,-0.00000920,-0.00002621,-0.00002286,0.00000218,-0.00000030,-0.000003
 90,0.00002295,-0.00000099,0.00000235,0.00001124,0.00000639,0.00000162,
 -0.00000044,-0.00001080,-0.00000598,0.00000876,0.00000701,0.00000177,-
 0.00000265,-0.00000266,-0.00000097,-0.00000461,-0.00000282,0.00000241,
 0.00000939,0.00000799,0.00000235,-0.00000046,-0.00001233,-0.00000471,-
 0.00153300,-0.00231809,-0.00251236,-0.05572306,-0.01535477,0.04509282,
 -0.00001012,0.00001355,0.00007334,0.05834062,0.00009959,0.00002779,-0.
 00003480,0.00004767,0.00000328,0.00011627,-0.00012534,0.00013914,-0.00
 002846,0.00062823,0.00038606,0.00091926,-0.00012692,-0.00016741,-0.000
 37742,-0.00004866,-0.00009790,0.00009245,0.00000391,-0.00001665,0.0000
 1558,0.00000092,0.00000615,-0.00000162,-0.00000187,-0.00000410,-0.0000
 0012,-0.00000622,-0.00000260,0.00000232,0.00353313,0.00564555,-0.01845
 586,0.00070785,0.00177153,-0.00143983,-0.00010482,-0.00015137,0.000737
 69,-0.00002729,-0.00157012,0.00012289,-0.00000231,-0.00001264,-0.00000
 940,0.00004770,-0.00006484,0.00002959,-0.00070245,0.00004490,0.0000530
 8,-0.00001633,-0.00000257,-0.00000630,0.00000458,-0.00000047,-0.000003
 00,0.00000383,0.00000020,-0.00000258,-0.00000044,-0.00000295,0.0000004
 1,0.00000118,0.00000284,-0.00000036,-0.00000236,-0.00000176,-0.0000011
 9,0.00000140,-0.00000029,0.00000051,0.00000209,0.00000081,-0.00000219,
 -0.00000333,-0.00000177,-0.00000132,0.00000176,0.00000465,-0.00000026,
 -0.00225676,-0.00171821,-0.00272089,-0.01540144,-0.07553281,0.08403353
 ,-0.00000833,-0.00002366,0.00007935,0.01947893,0.08017280,0.00033081,0
 .00000771,-0.00002935,0.00006864,-0.00015498,0.00028210,-0.00043494,0.
 00022221,-0.00017880,0.00171406,-0.00007006,0.00062009,0.00021696,0.00
 065023,-0.00028110,-0.00038073,0.00008486,0.00036006,-0.00000185,-0.00
 006117,0.00003243,-0.00001160,0.00000871,-0.00000277,0.00000247,0.0000
 0340,0.00000159,-0.00000303,0.00000466,-0.00000002,0.00287746,0.006187
 04,-0.02214903,-0.00049747,0.00240155,-0.00238199,0.00016457,-0.000584
 40,0.00102012,0.00026012,0.00027402,0.00153554,-0.00001677,-0.00001688
 ,-0.00000969,0.00003666,-0.00008873,0.00015126,0.00019630,-0.00031534,
 0.00062528,-0.00003863,0.00002770,0.00000339,-0.00000824,0.00000209,0.
 00000096,0.00001539,0.00000261,-0.00000033,-0.00000174,-0.00000308,0.0
 0000102,0.00000043,-0.00000198,-0.00000332,0.00000242,0.00000068,-0.00
 000084,0.00000084,-0.00000234,0.00000115,-0.00000303,0.00000030,0.0000
 0424,0.00000272,0.00000099,0.00000067,0.00000081,-0.00000253,-0.000004
 82,-0.00258467,-0.00300244,-0.00117237,0.04310650,0.08088762,-0.278265
 32,0.00018563,-0.00006793,0.00043050,-0.04635424,-0.08845485,0.3042483
 3,-0.00029788,0.00025193,0.00017733,0.00000930,0.00006331,-0.00019695,
 -0.00017905,-0.00052754,0.00050405,-0.00062177,-0.00192824,-0.00283722
 ,0.00009019,0.00006890,-0.00042486,0.00008118,0.00004256,-0.00008562,0
 .00000555,-0.00008209,-0.00004265,0.00000637,0.00009037,0.00003481,0.0
 0000265,-0.00002979,0.00000414,-0.00000127,-0.00002200,-0.00002214,-0.
 01479269,0.00084350,0.00328533,-0.00070644,0.00115771,-0.00016198,0.00
 026183,-0.00052266,-0.00028232,0.00058424,-0.00027532,0.00042766,-0.00
 007000,0.00005006,0.00000345,-0.00000726,-0.00006041,-0.00007373,0.000
 03894,0.00009373,0.00002399,-0.00002778,0.00000568,0.00003731,-0.00003
 379,0.00000876,0.00001583,-0.00003722,0.00000821,0.00000680,-0.0000417
 8,-0.00002807,-0.00000514,0.00000204,0.00002795,0.00001485,-0.00002115
 ,-0.00001932,-0.00000673,0.00000610,0.00000779,0.00000315,0.00000582,0
 .00000829,0.00000208,-0.00001964,-0.00002126,-0.00000203,0.00000148,0.
 00002960,0.00000441,0.00045392,0.00036593,-0.00032516,-0.29723362,0.01
 995481,0.04964409,-0.00008723,-0.00015398,0.00001726,-0.00456509,0.000
 58373,0.00119657,0.32434443,-0.00016507,0.00024251,-0.00006322,-0.0000
 6343,0.00001637,-0.00012528,-0.00071095,-0.00005528,0.00027513,-0.0011
 1966,-0.00110755,-0.00289527,-0.00020583,0.00016039,0.00001762,0.00010
 132,0.00000473,0.00001830,0.00000053,-0.00000940,-0.00001334,0.0000010
 0,0.00001930,0.00000869,-0.00000084,-0.00000505,0.00000031,-0.00000283
 ,-0.00000516,-0.00000412,-0.01817124,-0.00013487,0.00407227,-0.0012287
 0,0.00085059,0.00035154,0.00013494,0.00012221,0.00002199,0.00030635,-0
 .00007894,0.00015989,-0.00006870,0.00003777,0.00001440,0.00001876,-0.0
 0007856,-0.00006499,0.00013786,0.00006236,-0.00000778,-0.00002318,-0.0
 0001879,0.00001131,-0.00001330,0.00000126,0.00000637,-0.00001429,-0.00
 000183,0.00000542,-0.00000911,-0.00000721,-0.00000101,0.00000188,0.000
 00817,0.00000352,-0.00000516,-0.00000418,-0.00000116,0.00000225,-0.000
 00014,0.00000167,0.00000109,0.00000136,0.00000071,-0.00000435,-0.00000
 479,-0.00000019,0.00000192,0.00000751,0.00000005,0.00069669,0.00052124
 ,0.00029944,0.02144180,-0.05014120,-0.00405953,0.00004924,-0.00009790,
 0.00004607,-0.01094971,0.00022772,0.00158962,-0.02070170,0.05011652,0.
 00006449,0.00032804,0.00001927,-0.00002252,-0.00007019,0.00006290,-0.0
 0075312,0.00003082,0.00033076,-0.00099398,-0.00292136,-0.00301787,-0.0
 0005921,0.00032132,-0.00016728,-0.00012845,0.00029724,0.00020264,-0.00
 001529,-0.00009985,-0.00000962,-0.00001412,0.00004178,0.00001561,-0.00
 000013,-0.00000563,0.00000359,-0.00000202,-0.00000066,-0.00000865,-0.0
 2324724,0.00116541,0.00364622,-0.00002593,0.00055949,0.00160227,0.0001
 0823,0.00014232,-0.00047099,-0.00027211,-0.00000514,-0.00034823,-0.000
 07571,0.00000478,-0.00000466,-0.00001318,-0.00011870,-0.00006935,-0.00
 010569,-0.00047841,0.00021091,-0.00003498,0.00001312,0.00001759,-0.000
 02130,0.00000906,0.00000200,-0.00000598,0.00000483,0.00000952,-0.00001
 639,-0.00001388,-0.00000281,0.00000336,0.00000478,0.00000418,-0.000002
 77,-0.00000459,-0.00000346,-0.00000022,0.00000186,0.00000093,-0.000002
 25,0.00000194,0.00000343,-0.00000109,-0.00000561,0.00000200,0.00000253
 ,0.00000499,-0.00000304,0.00030507,0.00082600,0.00079358,0.05094507,-0
 .00363315,-0.05758807,-0.00001191,-0.00001526,0.00010155,0.02975119,-0
 .00350705,-0.00462348,-0.05254558,0.00698417,0.05977272,0.00000276,0.0
 0001174,-0.00000869,-0.00002157,-0.00003050,0.00001198,0.00015147,0.00
 021668,-0.00016650,0.00145557,-0.00067970,0.00050204,-0.00001548,0.000
 08893,0.00025217,-0.00004265,0.00005575,0.00003287,-0.00001472,0.00002
 268,0.00000621,-0.00000552,-0.00003265,-0.00001135,0.00000167,0.000013
 36,-0.00000123,0.00000272,0.00000931,0.00000859,0.00293684,-0.01889386
 ,0.00113282,-0.00300988,-0.00027980,-0.00289752,0.00113769,-0.00137413
 ,-0.00052188,0.00068159,-0.00035877,0.00059581,0.00002047,-0.00000904,
 0.00000482,0.00000783,-0.00003207,-0.00001305,0.00004920,-0.00005702,-
 0.00007260,0.00000203,-0.00000349,-0.00000893,0.00001130,-0.00000231,-
 0.00000548,0.00001059,-0.00000398,0.00000009,0.00001554,0.00001061,0.0
 0000198,-0.00000059,-0.00001183,-0.00000543,0.00000897,0.00000796,0.00
 000276,-0.00000355,-0.00000301,-0.00000134,-0.00000338,-0.00000323,0.0
 0000014,0.00000852,0.00000856,0.00000085,0.,-0.00001217,-0.00000277,0.
 00050151,0.00065639,0.00043879,-0.06690666,0.07074093,-0.00400419,-0.0
 0007032,0.00000279,-0.00008027,0.00085401,-0.00631165,-0.00004243,-0.0
 0715037,0.03056241,-0.00280877,0.06938440,-0.00000884,-0.00007190,-0.0
 0011040,-0.00006273,-0.00002799,0.00003520,-0.00042041,0.00029347,-0.0
 0006823,0.00134467,0.00097273,0.00036784,-0.00028103,0.00013064,0.0005
 0490,-0.00007608,-0.00006723,-0.00005164,0.00000349,0.00003060,0.00000
 141,-0.00000341,-0.00001573,-0.00000276,0.00000781,0.00000514,-0.00000
 007,0.00001002,0.00000476,0.00000033,0.00318277,-0.01788090,0.00061535
 ,-0.00244713,0.00162863,-0.00179934,0.00082379,-0.00151704,-0.00079071
 ,0.00016786,-0.00035592,0.00006542,-0.00002014,-0.00000872,-0.00000171
 ,0.00000442,-0.00001647,-0.00000098,0.00006375,0.00001045,-0.00011714,
 -0.00001582,-0.00001817,-0.00000122,-0.00000269,-0.00000346,0.00000464
 ,-0.00000767,0.00000238,-0.00000533,0.00000166,0.00000615,0.00000103,-
 0.00000295,-0.00000611,-0.00000108,0.00000463,0.00000319,0.00000193,-0
 .00000322,0.00000186,-0.00000214,-0.00000155,-0.00000068,0.00000133,0.
 00000404,0.00000410,-0.00000026,-0.00000394,-0.00000564,0.00000041,0.0
 0022095,0.00072359,-0.00025187,0.06854853,-0.29110187,0.01771064,-0.00
 009824,0.00016644,-0.00017043,0.00266680,-0.00906131,0.00047068,0.0007
 0957,-0.00064916,0.00013753,-0.07430891,0.31682420,-0.00010809,-0.0000
 4088,-0.00004776,0.00002732,0.00001736,-0.00010240,0.00010453,0.000179
 24,0.00008566,0.00125002,0.00049277,0.00067084,-0.00017031,0.00016890,
 -0.00015311,0.00015542,-0.00021635,0.00009464,0.00000644,0.00002712,0.
 00001228,0.00000536,-0.00000969,-0.00000423,0.00000140,0.00000007,0.00
 000028,0.00000132,0.00000044,0.00000298,0.00410699,-0.02447434,-0.0000
 8486,-0.00447446,0.00065976,-0.00398327,0.00141253,-0.00158709,-0.0001
 4741,0.00050838,0.00008589,0.00113180,-0.00000923,-0.00001027,0.000001
 39,0.00000505,0.00001560,-0.00007475,-0.00006504,0.00007165,0.00009055
 ,-0.00000845,0.00001620,-0.00000303,0.00000604,0.00000161,-0.00000353,
 0.00000180,-0.00000009,-0.00000018,0.00000407,0.00000431,0.00000117,-0
 .00000033,-0.00000311,-0.00000035,0.00000139,0.00000115,0.00000012,-0.
 00000198,0.00000133,-0.00000054,-0.00000080,0.00000042,-0.00000112,0.0
 0000143,0.00000097,-0.00000033,-0.00000058,-0.00000262,-0.00000142,0.0
 0081037,0.00033585,0.00068579,-0.00393770,0.01861069,-0.04788276,0.000
 19936,0.00000444,0.00014052,-0.00910178,0.02884460,-0.00021549,0.00160
 902,-0.00665260,-0.00048415,0.00766052,-0.01654333,0.05027267\\0.00001
 672,-0.00000331,-0.00000770,0.00000055,-0.00000502,0.00001720,-0.00001
 926,0.00000028,-0.00000087,0.00000358,0.00001329,-0.00000209,0.0000099
 6,-0.00000496,-0.00000456,-0.00001430,0.00000048,-0.00000592,0.0000085
 8,0.00000134,-0.00000327,-0.00000092,-0.00000296,-0.00000171,-0.000001
 36,0.00000476,0.00001200,-0.00000244,0.00000768,-0.00000716,-0.0000180
 3,-0.00001436,-0.00000132,0.00000436,-0.00000844,0.00009239,0.00000534
 ,-0.00001610,-0.00003784,-0.00000397,0.00001882,-0.00005242,-0.0000029
 9,0.00000213,0.00000155,0.00000349,-0.00000354,-0.00000023,-0.00000559
 ,0.00000075,-0.00000240,0.00000286,0.00000347,-0.00000072,-0.00000500,
 0.00000223,-0.00000108,-0.00000131,-0.00000064,0.00000073,-0.00000323,
 -0.00000105,0.00000058,0.00000333,-0.00000194,-0.00000593,-0.00000078,
 -0.00000053,0.00000145,0.00000173,-0.00000048,0.00000023,0.00000035,0.
 00000149,0.00000212,0.00000038,-0.00000043,0.00000049,0.00000022,-0.00
 000419,0.00000248,0.00000108,-0.00000182,0.00000028,0.00001106,0.00000
 911,0.00000009,-0.00000029,-0.00000359,0.00000156,0.00000318,0.0000043
 6,-0.00000584,0.00000152,0.00000136,0.00000592,0.00000119,0.00000180,0
 .00000201\\\@


 The cat could very well be man's best friend
 but would never stoop to admitting it.
                               -- Doug Larson
 Job cpu time:       0 days  8 hours 50 minutes  5.2 seconds.
 Elapsed time:       0 days  1 hours  6 minutes 20.2 seconds.
 File lengths (MBytes):  RWF=    604 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep  8 13:36:02 2021.
